san antonio 2002 - bezirganyan · san antonio 2002 conference room rate. ... edax/tsl emerald...

San Antonio 2002

Please join us in thanking the following organizations for their contribution to the 2002 Meeting:

Abbott Laboratories ACS-Petroleium Research Fund BioCryst Pharmaceuticals, Inc.

BP Amoco Chemicals BioCryst Pharmaceuticals, Inc.

Blake Industries, Inc.Bruker/Nonius

Compaq Computer Corp. Current Opinion in Structural Biology

Hampton Research Corp. Hoffmann-LaRoche, Inc.

International Centre for Diffraction Data

Merck Research Laboratories Pharmacia Corporation

Rigaku/MSC, Inc. Structural GenomiX, Inc.

Univ. of Texas at Austin (Dept. of Chemistry & Biochemistry)

IMPORTANTDEADLINES

Abstracts- January 25, 2002

Travel Grant - December 21, 2001

Hotel Reservations - April 19, 2002

Advance Registration - April 5, 2002May 25 - 30, 2002

Program ChairsLocal Chairs

General InformationHyatt Regency San AntonioConvention CenterExhibit Show (PDF)

List of ExhibitorsTravel GrantsList of ParticipantsLocal San Antonio Information

FormsRegistrationHotel ReservationTravel Grants

Additional Hotel

For those who have been unable to reserve a room at the Hyatt Hotel, we are pleased to announce that 50 additional rooms have been blocked at the St. Anthony Hotel, 300 East Travis St., San Antonio, for ACA Meeting attendees.

The St. Anthony is located just a few minutes walk from the Hyatt. The rate is $120 per night plus taxes. Rooms MUST be reserved by May 9 and you MUST identify yourself as an ACA Meeting Participant when making the reservation to be eligible for the

ProgramFinal Schedule (PDF)

Call for Papers (PDF)

Sessions and AbstractsOpening ReceptionMentor-Mentee Dinner

New Crystallization Workshop - Cancelled

http://aca.hwi.buffalo.edu/ACA-Annual/San%20Antonio-02/SA2002Home.htm (1 of 2) [11/18/2008 5:48:33 PM]

San Antonio 2002

conference room rate. After May 9, rooms may be available but at a higher rate.

Call (210) 227-4392 to make a reservation.

The St. Anthony HotelA Wyndham Historic Hotel 300 E. Travis St. San Antonio, TX 78205

Poster Prizes

Pauling Prize

Oxford Cryosystems Low Temperature Poster Prize

Royal Society of Chemistry Prize

Last updated May 2, 2002.

http://aca.hwi.buffalo.edu/ACA-Annual/San%20Antonio-02/SA2002Home.htm (2 of 2) [11/18/2008 5:48:33 PM]

1

2002 Annual MeetingMay 25 - 30San Antonio, Texas

ContributorsAbbott LaboratoriesACS-Petroleum Research FundBP Amoco ChemicalsBioCryst Pharmaceuticals, Inc.Blake Industries, Inc.Bruker/Nonius

Pharmacia CorporationProcter & GambleRigaku/MSC, Inc.Structural GenomiX, Inc.Univ. of Texas at Austin(Dept. of Chemistry & Biochemisty)

Compaq Computer Corp.Current Opinion in Structural BiologyHampton Research Corp.Hoffmann-La Roche, Inc.International Centre for Diffraction DataMerck Research Laboratories

Local CommitteeRay Davis, ChairSteve ErnstP. John HartVincent LynchEd Marcotte

Program CommitteeWally Cordes, ChairChrister AakeroyCele Abad-ZapateroGloria BorgstahlPaul ButlerAbraham Clearfield

ExhibitorsAdvanced X-Ray Analytical ServicesArea Detector Systems Corp.Bede/MicrosoureBeevers Minature ModelsBlake Industries, Inc.Bruker/NoniusCCP4Cambridge Crystallographic Data CtrCartesian TechnologiesCompaq Computer Corp.

Oxford Cryosystems, Inc.Oxford DiffractionOxford InstrumentsProtein Data BankProtein Solutions, Inc.Rigaku/MSC, Inc.Rigaku/Osmic, Inc.Southeast Regional Collaborative Access TeamWyatt Technology Corp.

Corporate MembersAdvanced X-Ray Analytical ServicesAmerican MagneticsArea Detector Systems Corp.ATPS, Inc.Bibliothek Technische HochschuleBlake Industries, Inc.Bruker/NoniusCambridge Crystallographic Data CtrCharles Supper Company, Inc.Compaq Computer Corp.Cryo Industries of America, Inc.

Crystal Logic, Inc.Douglas Instruments LimitedEmerald BioStructuresGilson, Inc. CyberlabHampton Research Corp.International Centre for Diffraction DataMAR USA, Inc.MXI Systems, Inc.Microsource/BedeMolecular DimensionsNeuro Probe, Inc.Oxford Cryosystems, Inc.

Oxford DiffractionOxford Instruments, Inc.Protein Data BankProtein SolutionsRheometric Scientific Inc.Rigaku/MSC, Inc.Rigaku/Osmic, Inc.Syrrx, Inc.UOV/Biblioteca UniversitariaWyatt Technology Corp.X-Ray Research Gmblt

Corning IncorporatedDiversified Scientific, Inc.Edax/TSLEmerald BiostructuresGilson, Inc.Greiner Bio One, Inc.Hampton Research Corp.MAR USA, Inc.Molecular Dimensions, Inc.Nextal Biotechnologies, Inc.Northern Kentucky Convention & Visitors Bureau

Travis Gallagher, ChairBill DuaxBob GlaeserAlex MalkinJoe ReibenspiesRichard Staples

Marv Hackert, ChairArt MonzingoJon RobertusSteve SwinneaAlex TaylorJohn Tesmer

2

Saturday, May 25

WK.01 Practical Structure Solution fromPowder Diffraction Data 08:30 Joe Reibenspies, Sean X. Ouyang, Alexandre F.T. Yokochi, Chairs

Structure solution from powder diffraction data has seen many advances in the last few years. New software and algorithms have dramatically increased the number and complexity of crystal structure solutions from powder data (SDPD). This full day workshop will introduce the attendees to the powder data structure solution software. The programs will be presented in a “tutorial” fashion where the presenters will “walk through” worked examples. The workshop will feature extended presentations, which will allow for full coverage of the solution programs and interaction with the authors. A website will be established for workshop information and handouts. www.chem.tamu.edu/xray/acaworkshop. The fee is $60 for registered students and $70 for all other participants. Fee does not include lunch.

Speakers: Lachlan Cranswick (Columbia Univ.)Carmelo Giacovazza (CNR-IRMEC, Bari, Italy)Arnt Kern (Univ. of Heidelberg, Germany)Armel LeBail (Univ. du Maine, France)Dam Poojary (Symex Technologies)Robin Shirely (Univ. of Surrey, UK)Brian Toby (NIST)

WK.02 Using the CCP4 Programs08:30 Harry Powell, Alun Ashton, Maeri Howard-Eales, Chairs

The Collaborative Computational Project for Macromolecules (CCP4) collates and distributes over 100 programs that encompass most aspects of macromolecular structure determina-tion. This full day workshop will aim to introduce CCP4, the CCP4 package and associated software and the CCP4 data formats to new users. Veteran users of the suite are also welcome as they may gain insight into some of the newer aspects of the package! There will be presentations by CCP4 staff and developers as well as the opportunity for informal group discussions during the workshop. The fee is $60 for registered students and $70 for all other participants. Fee does not include lunch.

All Workshops will be held in the Hyatt Regency Hotel.Pre-registration with payment is necessary to participate.

Registration Desk Hyatt Regency07:30-06:30 p.m.

Opening Reception Hyatt Regency Ballroom06:30 - 08:30p.m.

WK.03 Biological Crystallization on the International Space Station09:00 Craig E. Kundrot, Organizer and Chair

The NASA Biotechnology Program has begun crystallization experiments aboard the International Space Station (ISS). This full day workshop will review the scientifi c results of NASA’s Biological Crystal Growth program on the Space Shuttle from 1985 to 1998, explain how to fl y crystallization experiments aboard the ISS, describe potential future NASA capabilities on the ISS, describe an Education & Outreach program to high school students, and solicit feedback from the user commu-nity on all aspects of the program. Experimental design, hard-ware descriptions, and application procedures will be covered. Presentations will be conducted by scientists from NASA and from the newly formed NASA Institute for Structural Biology hosted at the Hauptman-Woodward Medical Research Insti-tute. The fee is $60 for registered students and $70 for all other participants. Fee does not include lunch.

09:00 Welcome and IntroductionScientifi c results from the NASA Space Shuttle ProgramNASA apparatus available for crystallization (vapor diffusion and dialysis)

10:20 Coffee Break

10:40 Applying to fl yThings you should do before flyingThe sample environment on the International Space Station

12:15 Lunch

01:15 NASA apparatus available for crystallization (liquid-liquid and more vapor diffusion)Other apparatus available for crystallization in microgravityServices available to the investigator from the NASA institute for Structural Biology

02:40 Coffee Break

03:00 NASA funding opportunitiesEducation and outreach - student samples in spaceFuture directions and developmentsOpen discussion

3

01.01 New Experimental Methods in Macromolecular CrystallographyRoom 217A Bob Sweet, James Fait, Wayne Anderson, Chairs

08:30-09:00 01.01.01New Detector Concepts for Protein Crystallography. Edwin M. Westbrook.

09:00-09:30 01.01.02What is the Low Resolution Limit to Anisotropic Refi nement of Protein Structures? Ethan Merritt, Isolde Le Trong.

09:30-10:00 01.01.03Abating Radiation Damage with an Open Flow Helium Cryo-stat. B. Leif Hanson, Joel Harp, Kristin Kirschbaum, Andy Howard, A. Alan Pinkerton, Gerard Bunick.

10:00-10:30 Coffee Break.

10:30-11:00 01.01.04Protein Crystallography with Spallation Neutrons. Benno P. Schoenborn, Paul Langan.

11:00-11:15 01.01.05The Approach to High-Throughput Crystallography: Data Management to Organize the Synchrotron Experience. Howard Robinson, John Skinner, Matt Cowan, Annie Héroux, Heinz Bosshard, Bill Nolan, Robert Sweet.

11:15-11:30 01.01.06Controls and Programs: Commissioning a New ID Beamline at APS. James Fait, Gerd Rosenbaum, John Chrzas, B.C. Wang.

11:30-11:45 01.01.07Automated Mounting of Cryo-Cooled Crystals on a Beam Line Using Compact Cassettes and a Small Robot. Paul Phizacker-ley, Aina Cohen, Ashley Deacon, Paul Ellis, Mitchell Miller.

11:45-12:00 01.01.08Automatic Sample Mounting and Alignment System for Mac-romolecular Crystallography at the ALS. Gyorgy Snell, George Meigs, Carl Cork, Thomas Earnest, Robert Nordmeyer, Earl Cornell, Joseph Jaklevic, Derek Yegian, Jian Jin, Ray Stevens.

01.02 Structural Genomics:Are all the Pieces Ready?Room 217A Tom Terwilliger, Joel Berendzen, Chairs

01:30-02:10 01.02.01Mapping the Protein Structure Universe and Structural Genom-ics. Sung-Hou Kim.

02:10-02:30 01.02.02ACTOR - Automated Crystal Transport, Orientation and Retrieval. James Pfl ugrath, Russ Athay, Thaddeus Niemeyer, Thomas Hendrixson, Kris Tesh, Angela Criswell, Keith Crane, Terry Nienaber, William Robertson, Richard Shafer.

02:30-03:00 01.02.03Development of High Throughput Technologies for Protein Crys-tallography and Structure Based Drug Design. Leslie Tari.


03:30-04:00 01.02.04 High-throughput Structure Determination using Synchrotron Radiation. Andrzej Joachimiak.

04:00-04:30 01.02.05Towards Automated Molecular Replacement Using Adaptive Template Generation and Effective Bias Removal. Bernhard Rupp, Brent W. Segelke, Adam Zemla.

04:30-05:00 01.02.06Genomics and the Revolution of Structural Information. Tom Peat.

05:00 Biological Macromolecules SIG Meeting

Sunday, May 26

Opening Ceremony08:00-08:30 217A

Exhibit Show Hall D10:00-07:30

Poster Session Hall D05:30-07:30

BioMac SIG Meeting 217A05:00

Small Angle Scattering SIG Meeting 217C05:00

Small Molecules SIG Meeting 217B05:00

Bruker/Nonius DinnerBy Invitation Only

Mentor/Mentee Dinner Buckhorn Saloon07:30 - Ticket Required

MarUSA will sponsor barge rides from the Convention Center to the Hyatt Hotel, Sunday through Wednesday. Enjoy the 30-minute ride while sipping complimentary Mar-garitas! Boats will leave the convention center at 5:00, 5:45, 6:30, 7:00, 7:40.

Take a r ide on the MAR Barge!

4

03.01 General Interest IRoom 217C Hugo Steinfi nk, Chair

08:30-09:00 03.01.01The Charge Density in Kovdorskite, Mg

2PO

4OH 3H

2O. Charles

H. Lake, Bryan M. Craven.

09:00-09:30 03.01.02Scaled Molecular Models and Sculptures. Edgar F. Meyer.

09:30-10:00 03.01.03Molecular Mechanics and Crystallography Using CrystMol to Study Organosilicon Compounds. David J. Duchamp.


10:30-11:00 03.01.04Understanding the Occurrence of Some High-Z’ Structures. Carolyn P. Brock.

11:00-11:30 03.01.05Supramolecular Hydrogen Bonded Arrays Using Perhalometallate Ions. John K. Swearingen, Lee Brammer, Gordon Anderson.

11:30-12:00 03.01.06Crystallographic Studies of Compounds in the Alkaline Earth Tan-talate and Niobate Systems. W. Wong-Ng, R. Roth, T. Van-derah, B. Toby, Qing Huang, T. Lindsey, R. Geyer, J. Chan, J.Kaduk.

08.01 Computational Crystallography:A Tribute to Robert SparksRoom 217B Dick Marsh, Chair

08:30-09:00 Opening Remarks. Dick Marsh and Susan Byram.

09:00-09:30 08.01.01Auto-indexing: The Revolution in Unit Cell Determination. William Clegg.

09:30-10:00 08.01.02The Changing World of Chemical Crystallography. Charles Campana, Susan Byram.


10:30-11:00 08.01.03The Concept of the Four-Circle Diffractometer. Larry R. Falvello.

11:00-11:30 08.01.04Structure Determination from Weak Anomalous Signals. George M. Sheldrick.

11:30-12:00 08.01.05Computational Methods to Extract Phase Information From Single Wavelength Data: Theory and Practice. Bi-Cheng Wang, John P. Rose, Zhi-Jie Liu, M. Newton, Gary Newton.

01:30-02:00 08.0106Stepping on the Gas. How Fast Can We Go? David Watkin, Richard Cooper, Alice Williams.

02:00-02:30 08.01.07The MISSYM Family: Software for the Detection of Missed and Pseudo-Symmetry. Anthony Spek.

02:30-03:00 08.01.08Theoretical Excited State Calculations vs. Time-Resolved Crys-tallography: The [Pt

2(H

2P

2O

5)

4]

4 Ion. Philip Coppens, Irina

Novozhilova, Guang Wu, Chris D. Kim, Sebastien Pillet.


03:30-04:00 08.01.09Treatment of Non-Merohedral Twins. Regine Herbst-Irmer.

04:00-04:30 08.01.10The Joy of Non-Merohedral Twinning. Victor Young, Jr.

04:30-05:00 08.01.11Precise Absolute Structure Determination for Light Atom Structures. Simon Parsons.

05:00 Small Molecule SIG Meeting

08.04 Crystal Engineering - IRoom 217D

Session ICrystal growth, polymorphism, and intermolecular forcesChrister B. Aakeroy, Chair

08:30-08:35 Opening Remarks. Christer B. Aakeroy.

08:35-09:30 08.04.01Crystal Engineering and the Weak Hydrogen Bond. Gautam R. Desiraju.

09:30-10:00 08.04.02Accessing Polymorphs and Pseudo-Polymorphs via Non-Solu-tion Methods. Dario Braga.


10:30-11:00 08.04.03Atomic Force Microscopy of Cholesterol Crystal Growth. Jen-nifer Swift, Richard Abendan, Crina Frincu.

11:00-11:30 08.04.04Thermomicroscopic Identifi cation of Quasiracemic Crystal Phases. Raymond E. Davis, Keith R. Lorimer, Kraig A. Wheeler.

11:30-12:00 08.04.05Engineering Crystals of Pharmaceutical Solids. Susan Reutzel-Edens, Julie Bush, Greg Stephenson.

Sunday, May 26

5

Session IIDirected assembly of extended organic architecturesLee Brammer, Chair

01:30-02:30 08.04.06Intermolecular Interactions at Work. Angelo Gavezzotti.

02:30-03:00 08.04.07Polymorphic Interconversions of Tetrapyridylpyrazine Through Decomposition of Halogen-bonded Complexes. William T. Pennington, Clifford W. Padgett, Rosa Walsh, Timothy Hanks.


03:30-04:00 08.04.08Mimicking Clays and Zeolites Using Hydrogen-Bonded Struc-tures. Alicia Beatty.

04:00-04:30 08.04.09Self-Assembly of Crystals and Nanocrystals. Mike Zaworotko, Jiangjiang Lu, Rosa Walsh, Brian Moulton, Heba Abourahma.

04:30-05:00 08.04.10Design of Modular Crystalline Materials. John MacDonald.

10.01 Impact of Scattering onNanoscience and Nanotechnology - IRoom 217C Paul Butler, Chair

01:30-01:35 Welcoming Remarks. Paul Butler.

01:35-02:15 10.01.01A Materials Perspective on Nanoscale Science and Technol-ogy. Douglas H. Lowndes.

02:15-02:45 10.01.02Structure of Nanocrystalline Materials by the Atomic Pair Distribu-tion Function Technique. Valeri Petkov, Simon J. L. Billinge.

02:45-03:00 10.01.03Neutron Diffraction Studies of Methane Hydrate Formation and Methane/CO

2 Exchange. Xiaoping Wang, Arthur Schultz.


03:30-04:00 10.01.04Using Circularly Polarized X-rays to Study Layered Magnetic Nanostructures at the Atomic Scale. Daniel Haskel.

04:00-04:30 10.01.05Complex Fluids as a Platform for the Fabrication of Nanoparti-cle and Biomolecule Arrays. Millicent Firestone, Soenke Seif-ert, Philip Laible.

04:30-05:00 10.01.06SANS as a Probe of Nano and Mesoporous Materials. Charles Glinka.

05:00 Small Angle SIG Meeting

Sunday, May 26 Monday, May 27

01.03 Protein Folding & DesignRoom 217A Chris Bystroff, Chair

08:00-08:30 01.03.01Structural Consequences of a Cardioprotective Mutant. Vivien Yee, Sadasivan Chittalakkottu, Stephan Ginell.

08:30-09:00 01.03.02The Role of Electrostatic Interactions in Protein Stability, Fold-ing and Misfolding. J. Martin Scholtz.

09:00-09:30 01.03.03Optimizing Proteins with Protein Design Automation. John Desjarlais.

09:30-10:00 01.03.04Designing Proteins with Novel Structures and Activities. Lynne Regan, Luca D’Andrea, Melanie Cocco, Ewan Main, Stephen Marino, Hiroshi Takashima.


10:30-11:00 01.03.05A Crystallographer’s View of How Proteins Manage to be Both Relaxed and Tightly Packed. Jane Richardson.

11:00-11:30 01.03.06Computational Protein Design: Methods and Applications. Stephen L. Mayo.

11:30-12:00 01.03.07Structure and Stability of the α-Helix. Andrew J. Doig, Charles D. Andrew, Duncan A. E. Cochran, Simon J. Hubbard, Eleri Hughes, Nicoleta Kokkoni, Simon Penel, Jia Ke Sun, Benja-min J. Stapley, Claire L. Wilson.



Rigaku/MSC User Luncheon 20312:00

Materials SIG Meeting 217C04:45

Service Cr SIG Meeting 217A05:00

Young Scientist Mixer Howl at the07:00 Moon Saloon

Rigaku/MSC Dinner Southwest SchoolBy Invitation Only of Art and Craft

6

03:30-04:00 01.04.04Crystal Structure of Autoinducer-2 Production Protein (LuxS) from Haemophilus Infl uenzae - A Case of Twinned Crystal. Christopher Lehmann, Celia C. H. Chen, Jim F. Parson, Kap Lim, Alexandra Tempczyk, Edward Eisenstein, Osnat Herzberg.

04:00-04:30 01.04.05Crystallographic Obstacles of the High-Throughput Approach. Alexey Teplyakov, Gary Gilliland.

05:00 Service Cr SIG Meeting

08.04 Crystal Engineering - IIRoom 217D

Session IIIConstruction of inorganic-organic hybrid materialsAlicia M. Beatty, Chair

08:30-09:30 08.04.12Perspectives in Molecular Tectonics. M. Wais Hosseini.

09:30-10:00 08.04.13Polyoxometallates as Anionic Templates in the Construction of Cu(I) Coordination Networks. Steven Keller, Jacqueline Knaust.


10:30-11:00 08.04.14Design and Synthesis of Functional Coordination Polymers. Jesus Valdes-Martinez, Domingo Salazar-Mendoza, Simon Hernandez-Ortega, Ruben A. Toscano.

Monday, May 27

01.04 Diffi cult StructuresRoom 217A Zbigniew Dauter, Zygmunt Derewenda, Chairs

01:30-02:00 01.04.01Use of an Anonymous‚ Anomalous Scatterer for Phasing a Uracil-DNA Glycosylase Structure. Kanagalaghatta Raja-shankar, Tanya Dodatko, Radhakannan Thirumuruhan, Steve Almo, Anne Bresnick, Margarita Sandigursky, William Frank-lin, Chance Mark.

02:00-02:30 01.04.02Scars and Bruises Obtained While Phasing the Mini-Macro-molecule Vancomycin. Patrick Loll.

02:30-03:00 01.04.03LDL Particle: Direct Structure Determination. Alexandre Urzhumtsev, Vladimir Yu. Lunin, Natalia Lunina, Stephan Ritter, Ingrid Frey, Aloys Berg, Kay Diederichs, Alberto Pod-jarny, Manfred Baumstark.

03:00-03:30 Coffee Break

11:00-11:30 08.04.15Inorganic and Organic Crystal Engineering: The Same But Not the Same. Lee Brammer, Michael Burgard, Mark Eddleston, Stephen Purver, Harry Adams.

11:30-12:00 08.04.161,2-bis(5’-Pyrimidyl)ethyne: A New Ligand for the Self-assem-bly of Organic and Inorganic-organic Hybrid Networks. Eric Bosch.

Session IVFunction and reactivity of engineered materialsDario Braga, Chair

01:30-02:30 08.04.17Catenation, Duals and Porosity in Low Density Frameworks. Omar Yaghi.

02:30-03:00 08.04.18Reversible Trapping of Acid and Base Vapors into an Engi-neered Organometallic Material. Fabrizia Grepioni.


03:30-04:00 08.04.19Adventures in Crystal Engineering. Joseph Lauher, Frank Fowler.

04:00-04:30 08.04.20New Tools for Studying Ferroelastic and Ferroelectric Domain Switching. Mark D. Hollingsworth, Matthew L. Peterson, John Bacsa, Ben L. Champion.

04:30-05:00 08.04.21Polymorphic 1-Butyl-3-Methylimidazolium Chloride: In Search Of Clues To Make Ionic Salts, Ionic Liquids. Robin Rogers, Matthew Reichert.

05:00-05:30 08.04.22From Supramolecular Synthesis to Functional Materials; Design, Structure, and Reactivity. Christer Aakeröy, Alicia Beatty, Keith Lorimer, Min Zou.

10.01 Impact of Scattering onNanoscience and Nanotechnology - IIRoom 217C

Simon Billinge, Morning Chair

08:30-09:00 10.01.07SNS: Future Opportunities in the Nanosciences. Ian Anderson.

09:00-09:30 10.01.08Neutron Scattering from Lithographically Prepared Nano-structures. Ronald Jones, Eric Lin, Wen-li Wu.

09:30-10:00 10.01.09Nanoscale Frustration: Competing Charge, Orbital, and Mag-netic Order in Layered CMR Manganites. Raymond Osborn,

7

Branton Campbell, Dimitri Argyriou, Stephan Rosenkranz, John Mitchell, Lida Vasiliu-Doloc, Sunil Sinha, Jeffrey Lynn.


10:30-11:00 10.01.10Shear-induced Droplet Rupturing and Structure in Concen-trated Emulsions. Thomas Mason, Pradeep Rai.

11:00-11:15 10.01.11Single Crystal Diffraction Study of Commensurate-to-Incom-mensurate Phase Transition in Charge Ordered La

1-xCa

xMnO

3 by Electron Nanodiffraction. Jing Tao, Jian-Min Zuo.

11:15-11:30 10.01.12Atomic Pair Distribution Function Perspective: Atomic Order-ing in Nanostructural V

2O

5nH

2O Xerogel. Emil S. Bozin, V.

Petkov, P. Trikalitis, M. G. Kanatzidis, S. J. L. Billinge.

11:30-12:00 10.01.13Neutron Scattering and Molecular Simulation Studies of Fast Dynamics in Biomolecules. Doug Tobias.

Jim Richardson, Afternoon Chair

01:30-02:00 10.01.14Nano-Structured Materials from Self-Assembly of Block Copoly-mers in the Condensed State and Fluid Media. George Wignall.

02:00-02:30 10.01.15Structure-Property Relationships in New Second-Harmonic Generating (SHG) Materials. P. Shiv Halasyamani, Kang Min Ok, Yetta Porter, Joanna Goodey.

02:30-03:00 10.01.16Characterization of Nanophases of Lanthanides in Vitreous Silica by SANS and ASAXS. Pappannan Thiyagarajan, James V. Beitz, S. Skanthakumar, Lixin Fan, Soenke Seifert.


03:30-04:00 10.01.17Cholera Toxin Interaction with Lipid Monolayer: X-Ray Graz-ing Incidence Diffraction and Refl ectivity Studies. Jaroslaw Majewski, Tonya Kuhl, Gregory Smith, Kristian Kjaer.

04:00-04:15 10.01.18Low Resolution SAXS Model of beta-mannosidase from T. reesei Enhanced by X-Ray Crystallography. Ricardo Apari-cio, Hannes Fischer, Aldo F. Craievich, Alexander M. Gol-ubev, K.N. Neustroev, E.V. Eneiskaya, A.A. Kulminskaya, A.N. Savel’ev, Igor Polikarpov.

04:15-04:45 10.01.19Neutron Studies of Hydrogen Adsorption in Carbon Nano-tubes. Paul Sokol, David Narehood, Peter Eklund, Milton Cole, Milan Kostov.

04:45 Materials SIG Meeting

Monday, May 27

Monday con’t next page

11.01 Biomacromolecular Solutions,Properties and Crystal NucleationRoom 217B Peter Vekilov, Chair

08:30-09:00 11.01.01Biological Macromolecules: Interactions in Solution and Crys-tallization Conditions. Annette Tardieu, Françoise Bonneté, Stéphanie Finet, Denis Vivarès.

09:00-09:15 11.01.02Dilute Solution Properties of Equine Serum Albumin Related to Crystallization. William Wilson, Shangming Kao, Dragan Nikic, Steven Holman, Heather McDonald, Kristen Demoruelle.

09:15-09:45 11.01.03The Role of Anisotropic Interactions in Protein Phase Behav-ior. Neer Asherie, Aleksey Lomakin, George B. Benedek.

09:45-10:00 11.01.04Hydration of Simple Ions Used in Protein Crystallization. Kim D. Collins, Michael Y. Kiriukhin.


10:30-11:00 11.01.05A Rapid and Rational Approach to Protein Crystallization: A Case Study of Ribonuclease A. Abraham M. Lenhoff, Peter M. Tessier, Harvey R. Johnson, Rajesh Pazhianur, Bryan W. Berger, Jessica L. Prentice, Brian J. Bahnson, Stanley I. Sandler.

11:00-11:15 11.01.06Protein Crystal Nucleation Kinetics Mediated Through Solu-bility. Constance Schall, Venkateswarlu Bhamidi, Sasidhar Varanasi.

11:15-11:45 11.01.07In cubo Crystallization of Membrane Proteins: Principles, Application and Molecular Mechanism. Ehud M. Landau, Karl Edman, Antoine Royant, Carrie A. Maxwell, Peter Nol-lert, Richard Neutze, Eva Pebay-Peyroula, Javier Navarro.

11:45-12:00 11.01.08Microheterogeneity and Protein Crystal Growth. Bill R. Thomas, Zhong-min Wang, Zhangwei Hu, Sean S. Bohannon, Alexander A. Chernov.

8

08.02 Questions about the Processingof CCD and Image-Plate DataRoom 217B Carol Brock, Chair

08:30-10:00 As more and more diffractometers equipped with area detectors are installed, more and more crystallographers are asking exactly how the intensities and their standard uncertainties are calcu-lated. During the fi rst half of this session vendor representatives will be asked to explain the calculation of sig(I) values; the topic for the second half of the session will be frame-to-frame scaling.


10:30-12:00 Session Continues

11.03 New Macromolecular Crystals,Techniques and HardwareRoom 217A Bob Cudney, Chair

08:00-08:30 11.03.01The Path to Crystallization in a Structual Genomics Environ-ment. Jaru Jancarik.

08:30-09:00 11.03.02Overcoming Some of the Challenges in Crystallization of Kinases. Annie Hassell.

09:00-09:30 11.03.03Crystallizing Proteins for Drug Discovery. Allan D’Arcy, Aengus Mac Sweeney, Glenn Dale, Christian Oefner.

09:30-10:00 11.03.04A Method for High Throughput Vapor Diffusion Crystalliza-tion Using the 3DP-1000 Solution Screen. Frank A. Lewan-dowski, John Spurlino, Martin McMillan, Roger Bone.

Tuesday, May 28Monday, May 27

11.02 Biomacromolecular CrystalGrowth and Perfection. Biomineralization.Room 217B Alex Malkin, Chair

01:30-02:00 11.02.01Using Chiral Molecules to Probe Mineralization. Christine Orme, Aleksandr Noy, Andre Wiezbicki, Mary McBride, James De Yoreo.

02:00-02:30 11.02.02New General Features of Crystal Growth from Protein Studies. Alexander Chernov, L.N. Rashkovich.

02:30-03:00 11.02.03Protein Crystallization Under Diffusion Controlled Mass Trans-port. Juan Ma. Garcia-Ruiz, F. Otalora.


03:30-04:00 11.02.04Molecular Mechanisms of Microheterogeneity-Induced Defect Formation: Case of Ferritins. Peter Vekilov, S. -T. Yau, Bill Thomas, Dimiter Petsev.

04:00-04:30 11.02.05New Approaches to Flash Cooling and Annealing of Protein Crystals. Robert Thorne, Sergei Kriminski, Craig Caylor, Cristy Nonato, Ken Finkelstein.

04:30-05:00 11.02.06The Finer Things in Life: Perfecting Macromolecular Crystal Analysis. Edward Snell, Jeff Lovelace, Ardeschir Vahedi-Faridi, Henry Bellamy, Gloria Borgstahl.

05:00-05:15 11.02.07Novel Mechanisms for Defect Formation and Surface Molec-ular Processes in Virus Crystallization. Alexander Malkin, Alexander McPherson.

05:15-05:30 11.02.08Correlation Between Screw Axes in the Crystal Symmetry and Growth Mechanisms of Macromolecular Crystals. Marco Plomp, Alexander McPherson, Alexander Malkin.


Neutron Scattering SIG Meeting 217C05:00

Synchrotron Radiation SIG Meeting 217A05:00

Young Scientists SIG Meeting 217D05:00


Rigaku/MSC Fun Run Walkway to07:30 the Alamodome

9


10:30-11:00 11.03.05The Role of Non-Contact Microfl uidics in High Throughput Protein Crystallization. Thomas Tisone.

11:00-11:30 11.03.06About Small Streams and Shiny Rocks: Macromolecular Crys-tal Growth in Microfl uidics. Mark van der Woerd, Darren Ferree, Scott Spearing, Lisa Monaco, Josh Molho, Michael Spaid, Michael Brasseur.

11:30-12:00 11.03.07Nanoengineered Surfaces for the Epitaxial Nucleation of Pro-tein Crystals. Robert Haushalter, Ted X. Sun, Alexander McPherson.

11.04 High Throughput BiocrystallizationRoom 217A Howard Einspahr, Chair

01:30-01:55 11.04.01Strategies for High Throughput Development of Crystallizable Constructs. Geoffrey Waldo, Jean-Denis Pedelacq, Min Park, Joel Berendzen, Thomas Terwilliger.

01:55-02:20 11.04.02High Throughput Crystallization Via the Microbath-Under-Oil Method. George T. DeTitta, Joseph R. Luft, Jennifer Wolf-ley, Nancy A. Fehrman, Robert Collins, Donald A. Hess, Igor Jurisica, Christian Cumbaa, Janice Glasgow, Suzanne Fortier.

02:20-02:45 11.04.03New High Throughput Crystallization Technology. Lawrence J. DeLucas, Terry Bray, Lisa Nagy, Arnon Chait, Brad Stoops, Alexander Belgovskiy, David Hamrick, Larry Cosenza, Laura Lerner.

02:45-03:00 11.04.04Automated CRYSTOOL: A Random Screening Method for Effi cient High Throughput Crystallization. Heike I. Krupka, Bernhard Rupp, Brent W. Segelke.


03:30-03:55 11.04.05Tackling the Bottleneck of Protein Crystallization for Struc-tural Genomics. Naomi E. Chayen.

03:55-04:20 11.04.06Proteomic Crystal Nursery. John Adams, Mandel Mickley, Tom Peat, Janet Newman.

04:20-04:45 11.04.07The First 2 Million Crystal Drops From the Syrrx Crystalliza-tion System. Duncan McRee, Raymond Stevens, John Palan, Dan Scheibe, Jeff Goldberg, Nicholson Bruce.

05:00 Synchrotron Radiation SIG Meeting

TR.01 TRANSACTIONS SYMPOSIUMCrystal Structure Determinations fromPowder Diffraction DataRoom 217D Abraham Clearfi eld, Chair

08:20-08:30 Opening Remarks. Abraham Clearfi eld.

08:30-09:00 TR.01.01Before Powder Structures Can Be Solved, First They Must be Indexed! Lachlan Cranswick, Robin Shirley.

09:00-09:30 TR.01.02Expo2001: The New Features. Carmelo Giacovazzo, Angela Altomare, Corrado Cuocci, Anna Grazia G. Moliterni, Antoni-etta Guagliardi, Rosanna Rizzi.

09:30-10:00 TR.01.03Structure Solution of Inorganic Materials From Powder Dif-fraction Data Using Direct-Space Methods. Hideo Toraya.


10:30-11:00 TR.01.04The Use of Differential Evolution in Structure Solution from Powder Diffraction Data. Maryjane Tremayne, Colin Seaton.

11:00-11:30 TR.01.05Aromatic Carboxylate Salts. Terephthalates. James Kaduk.

11:30-12:00 TR.01.06Crystal Structure Determination and Refi nement from High Pressure Powder Diffraction Data. John Parise.

01:30-02:00 TR.01.07Role of the PDF in Structure Solution by Powder Diffraction Methods. Camden Hubbard.

02:00-02:30 TR.01.08Direct Space Global Optimization Methods of Structure Solu-tion from Powder Diffraction Data. Bill David.

02:30-03:00 TR.01.09Powder Diffraction at Low Resolution-Why Bother, and What Useful Information Can Be Obtained. Chris Gilmore, Jon Wright, Andy Fitch.

03:00-03:30 TR.01.10PSSP: An Open Source Powder Structure Solution Program for Direct Space Simulated Annealing. Peter Stephens.

03:30-04:00 TR.01.11The Monte Carlo Method for Structure Determination from Powder Data. Michael Deem.

04:00-04:30 TR.01.12Powder Diffraction Squared. Rob Grothe, Rebecca Nelson, David Eisenberg.

04:30-05:00 TR.01.13Proteins and Synchrotron X-ray Powder Diffraction. Robert Von Dreele.

Tuesday, May 28

10

Teaching TechniquesRoom 217B Wally Cordes, Chair

01:31-03:00 This session will consist of the sharing of teaching strategies and techniques used to start the classes of a course in crystallography.

03:00-03:30 Coffee Competition.

03:30-04:29 Session Continues.

06.02 Authorship Issues An Evening SessionRoom 217D Carol Brock, Chair

07:30-07:50Publishing Practices and Rights: The Big Picture. Stephen K. Ritter, Senior Editor, Chemical and Engineering News.

07:50-08:10The Changing Nature of Crystallographic Authorship From 1912 to the Present. Larry R. Falvello, Univ. of Zaragoza.

08:10-08:30Co-Authorship and Service Crystallography from a Dutch Per-spective. Anthony L. Spek, Utrecht Univ.

08:30-08:50 Service Crystallography and Authorship. Phillip E. Fanwick, Purdue Univ.

08:50-09:10Crystallographic Authorship in the Cambridge Chemical Lab-oratory: Principles and Practice. Andrew D. Bond, Cambridge Univ. Chemical Laboratories.

09:10-09:30An Approach to Determining Authorship “Rights” for Service Crystallographers. Fredrick J. Hollander, Univ. Of California Berkeley.

09:30-09:50Structure and Infrastructure in Inorganic Chemistry; Reporting Crystallographic Results and Future Developments in the Jour-nal. Richard Eisenberg, Univ. Of Rochester; Editor-in-Chief Inorganic Chemistry.

09:50-10:10Recording Authorship in the Cambridge Structural Database. Frank Allen, Cambridge Crystallographic Data Centre.

10:10-10:20 Break.

10:20-11:00 Open Discussion.

Tuesday, May 28

SP.02 Electron Microscopy of BiologicalMacromoleculesRoom 217C Bob Glaeser, Chair

Quantitative Interpretation of Cryo-EM Denisty Maps

08:30-09:00 SP.02.01Electron Cryomicroscopy and Bioinformatics Derive Domain Folds of Macromolecular Machine. Wah Chiu.

09:00-09:30 SP.02.02Quantitative Fitting of Atomic Models into Electron Micro-scopic Reconstructions Using Solution Sets. Niels Volkmann.

09:30-10:00 SP.02.03Fast 6D Matching of Multi-Resolution Structures using Fou-rier Correlation and Spherical Harmonics. Willy Wriggers, Pablo Chacon, Julio Kovacs.


10:30-11:00 SP.02.04Structural Mechanisms of Self-assembly and Polymorphic Supercoiling of the Bacterial fl agellum. Keiichi Namba.

11:00-11:30 SP.02.05Microtubule Structure at 8 Å Resolution. Huilin Li, David DeR-osier, William Nicholson, Eva Nogales, Kenneth Downing.

Automation and High Throughput

01:30-02:00 SP.02.06Automated cryoEM- From Grid to Map. Clinton Potter, Denis Fellmann, Ronald Milligan, Jim Pulokas, Christian Suloway, Yuanxin Zhu, Bridget Carragher.

02:00-02:30 SP.02.07Automated Data Collection and Image Analysis for Cryo-elec-tron Microscopy. Peijun Zhang, Mario Borgnia, Jacqueline Milne, Sriram Subramaniam.

02:30-03:00 SP.02.08Fast and Accurate 3D Structures from Individual Molecules with EMAN. Steven Ludtke.


03:30-04:00 SP.02.09Automatic Boxing With Geometric Methods. Ravi Malladi.

04:00-04:30 SP.02.10Molecular Structure of an 11 Megadalton Catalytic Machine. Jac-queline Milne, Dan Shi, Richard Perham, Sriram Subramaniam.

04:30-05:00 SP.02.11Allosteric Mechanism of Chaperonins Studied by Single Par-ticle Cryo EM. Helen Saibil, Neil Ranson, George Farr, Wayne Fenton, Art Howrich, Trevor Sewell, Alan Roseman, Shaoxia Chen.

11

01.05 Structure-Based Drug DesignRoom 217A Ward Smith, Bill Stallings, Chairs

08:00-08:30 01.05.01AAdvances in the Structure-Based Design of Potent and Selec-tive hPTP1B Inhibitors for the Treatment of Type II Diabetes. Cele Abad-Zapatero, B. Szczepankiewicz, Z. Pei, Z. Xin, H. Zhao, C. Hutchins, P. Hajduk, S. Ballaron, M. Stashko, T. Lubben, J. Severin, E. Herbert, J. Trevillyan, G. Kiu.

08:30-09:00 01.05.01Application of Structure-Based Drug Design in Drug Discov-ery and Development. R. Scott Rowland.

09:00-09:30 01.05.02Structure-Based Discovery of a Novel, Non-Covalent Inhibi-tor of AmpC Beta-Lactamase. Rachel A. Powers, Federica Morandi, Brian K. Shoichet.

09:30-10:00 01.05.03Crystal Structures of GSK3b, a Potential Target for Type 2 Dia-betes Therapy. Ernst Ter Haar, Joyce Coll, Richard Petrillo, Ted Fox, Douglas Austen, Hsun-Mei Hsiao, Lora Swenson.


10:30-11:00 01.05.04Design of Cdk2 Inhibitors for Prevention of Chemotherapy-Induced Alopecia. Lisa Shewchuk.

11:00-11:30 01.05.05Adding a Dimension to Molecular Docking: Force Feedback. Stanley M. Swanson, Jennifer S. Novak, Shahram Khademi, Edgar F. Meyer.

11:30-12:00 01.05.06Structural Studies of Farnesyl Protein Transferase Inhibitors. Corey Strickland, Linda Syto, William Windsor, Patricia Weber.

01.06 Macromolecular Motions andDynamic ProcessesRoom 217A Andrew Mesecar, Chair

02:00-02:30 01.06.01Photocycle Movie of a Blue-light Receptor Photoactive Yellow Protein from Nanoseconds to Seconds. Zhong Ren, Benjamin Perman, Vukica Srajer, T. -Y. Teng, Claude Pradervand, Domi-nique Bourgeois, Friederich Schotte, Thomas Ursby, Remco Kort, Michael Wulff.

02:30-03:00 01.06.02Time Resolved Studies of Enzymes: Methods and Applica-tions. Barry Stoddard, Eric Galburt, Brett Chevalier, Betty Shen, Jill Bolduc.


03:30-04:00 01.06.03Making Movies of Ribozyme Catalysis. Bill Scott.

04:00-04:30 01.06.04Multiple Timescale Protein Dynamics: Implications for Enzyme Function. Patrick Loria.

04:30-05:00 01.06.05Small-angle Neutron Scattering Provides a Critical Frame-work for Understanding Bio-Molecular Machines and Signal-ing Networks. Jill Trewhella.

05:00-05:30 01.06.06The Thermodynamic Origin of the Stability of a Thermophilic Ribozyme. Tobin Sosnick, Xing-wang Fang, Barbara Golden, Kevin Littrell, Valerie Shelton, P. Thiyagarajan, Tao Pan.

03.02 General Interest IIRoom 217C Jeffrey Deschamps, Chair

02:00-02:30 03.02.01‘Single’ Crystal Crystallography on Cracked Crystals at He Temperature after a Destructive Phase Transition. Kristin Kirschbaum, Alan Pinkerton, Wally Cordes, Richard Oakley, David Shultz.

02:30-03:00 03.02.02Remote Controlled CCD Systems for Single Crystal Diffrac-tion. Michael Ruf, Martin Adam.

03:00-03:30 03.02.03Using 109 Molecules and a Synchrotron to Determine a Crystal Structure. Bernard D. Santarsiero, Andrew D. Mesecar, Bao-Ning Su, Harry H.S. Fong, John M. Pezzuto, A. Douglas Kinghorn.

03:30-04:00 03.02.04The Local Squaring Function Method of Phase Refi nement. J.M. Roach, C.W. Carter Jr.

Wednesday, May 29


ACA Patterson AwardPresentation and Lecture 217D01:00-02:00

General Interest Group Meeting 217C05:00

Fiber Diffraction SIG Meeting 217B05:00

Canadian Division Meeting 217A05:30

Annual Banquet and Awards CeremonyInstitute of Texan CulturesCash Bar 06:00 Dinner 07:30 Ticket RequiredBusses to Institute begin leaving Hyatt Hotel at 05:45

12

04:00-04:30 03.02.05The Ultimate Fast Fourier Transform for Crystallography. Mal-gorzata Rowicka, Andrzej Kudlicki, Zbyszek Otwinowski.

04:30-05:00 03.02.06New Millennium Crystallographic Mathematics: Symmetry, Invariants, Topology. Carroll Johnson.

05:00 General Interest Group Meeting

08.03 Cool StructuresRoom 217B Richard Staples, Chair

08:30-09:00 08.03.01Synthesis and Structure of Selenium-based Compounds Analogs of Nonsteroidal Anti-infl ammatory Drugs: Dibenzoyl Disele-nide. Federico Martinez-Ramos, Manuel Soriano-Garcia.

09:00-09:30 08.03.02Nitric Oxide Iron Complex with Both NO+ and NO0 Forms. Javier Ellena, Eduardo Castellano, Luiz Lopes, Cristiane Oliveira, Eduardo Sousa, José Miranda, Alzir Batista, Otaciro Nascimento, Ícaro Moreira.

09:30-10:00 08.03.03Big, Weird, Twinned, Strange and Otherwise “Cool” Structures Done This Year. Patrick J. Carroll.


10:30-11:00 08.03.04Determination of the First Endohedral Fullerene Structure that Violates the Isolated Pentagon Rule. Marilyn Olmstead, Hon Man Lee, Alan Balch.

11:00-11:30 08.03.05Novel Phi-Phi Interactions in the Crystal Structure of a Pyr-idinophane Derivative and Related CSD Study. Venkatacha-lam Rajakannan, Sundari Baskaran, Devadasan Velmurugan, S. Narasingarao, M. Dhanasekaran, Moon-Jib Kim.

11:30-12:00 08.03.06p-Chloro-o-Cyanobenzylideneanilines and a p-Fluoro-Cyano-benzylideneaniline Cyclization Product. William H. Ojala, Tera L Ketel, Jessica E. Engebretson.

02:00-02:30 08.03.07Concomitant Coordination of Terminal Oxo Functions in Neu-tral Substrates by Multidentate Lewis Acids. Evgeny Dikarev, Marina Petrukhina.

02:30-03:00 08.03.08On the Anti-Intuitive Displacements of Mo Atoms in Dimolybdenum(II,II)Tetracarboxylate. Boris Udovic.

SP.01 Electron CrystallographyRoom 217D John Spence, Chair

08:30-09:00 SP.01.01Tubulin Structure and the Interactions that Regulate Microtu-bule Dynamics. Kenneth Downing.

09:00-09:30 SP.01.02Two-Dimensional Crystallization of Proteins for Electron Crys-tallography. Bing K. Jap.

09:30-10:00 SP.01.03Electron Crystallography - Structure Solution, Least-Squares Refi nement and the Missing Cone. Chris Gilmore, Andrew Stewart.


10:30-11:00 SP.01.04Electron Crystallography - Its Development and a Strategy for the Future. John Fryer.

11:00-11:30 SP.01.05New Methods For Solving Structures By Transmission Elec-tron Diffraction (TED). John C.H. Spence, J. Wu, M. Stevens.

11:30-12:00 SP.01.06Direct Methods for Surfaces with X-rays of Electrons. Lau-rence Marks.

Wednesday, May 29

Patterson Award Presentation and LectureRoom 217D Charles W. Carter, Jr., Presiding

01:00-02:00 PATTERSONCorrelations, Convolutions and the Validity of Electron Crys-tallography. Douglas L. Dorset.

02:30-03:00 SP.01.07Electron Crystallography for Micro- and Meso-porous Materi-als. Osamu Terasaki, Tetsu Ohsuna.

03:00-03:30 SP.01.08Measurement of Charge Density and Magnetic Potential Using Electron Diffraction and Phase Retrieval Methods. Yimei Zhu.

03:30-04:00 SP.01.09Electron Nano-Crystallography. Jian-Min Zuo, Boquan Li.

04:00-04:30 SP.01.10Fluctuation Microscopy: Revealing the Regularity in Disor-dered Materials. Michael Treacy, Murray Gibson, John Abel-son, Jenny Gerbi, Paul Voyles.

04:30-05:00 SP.01.11Structure Analysis of Amorphous Silica in Diatom Frustules Using Energy-fi ltered Electron Diffraction Patterns. Youn Kim, Jiho Song, Jin Kim, Sujeong Lee.

13

Funding Opportunities and Effective Grant Writing for Structural ScientistsRoom 217B Nickolas Silvaggi, Chair

03:30-05:00 Representatives from granting agencies will discuss funding opportunities available for structural research. In addition, there will be a panel discussion focusing on grant writing techniques, as well as strategies for obtaining funding for work in the structural sciences. All are welcome.

10.02 From Structures to Materials ScienceRoom 217C Scott Misture, Chair

08:30-09:00 10.02.01Local Atomic Structure and Electronic Properties of Complex Oxides. Takeshi Egami.

09:00-09:15 10.02.02Rietveld Refi nement and Solid State NMR of Y Zeolites Ion-Exchanged by Rare Earth. Yvonne Primerano Mascarenhas, A.C. Doriguetto, F. Becker-Guedes, T.J. Bonagamba, F.E. Trigueiro, E.F. Souza-Aguiar.

09:15-09:30 10.02.03The Design, Synthesis, and Characterization of Novel Group IIIb Bisphosphonate Materials. Howard Harvey, Martin Attfi eld.

09:30-09:45 10.02.04Calcium Carbonate Nucleation and Crystallization in High Magnetic Fields. Goran Drazic, Spomenka Kobe, McGuiness Paul, Strazisar Janez.

09:45-10:00 10.02.05Phase Distribution and Transformation Dynamics in Fusion Welds Using in-situ Synchrotron Diffraction Methods. Joe Wong, Thorsten Ressler, John Elmer.


10:30-11:00 10.02.06Chemical Short-Range-Order Information Obtained From Powder Diffraction. Thomas Proffen, Valeri Petkov, Simon Billinge, Tom Vogt.

11:00-11:15 10.02.07Quantitative Analysis of Planar Disorder. Ernesto Estevez-Rams, Raymundo Lora Serrano, Arbelio Penton Madrigal.

11:15-11:30 10.02.08Direct Observation of Eta-2-Imine Formation through Beta-H Abstraction between Amide Ligands. T. F. Koetzle, X. Wang, A. J. Schultz, H. Cai, T. Chen, Z. Xue.

11:30-12:00 10.02.09The Structure of Stretched Nafi on. Samuel Trevino, Sandra Young.

Wednesday, May 29 Thursday, May 30

01.07 Enzyme MechanismRoom 217A Ethan Merritt, Chair

08:30-09:00 01.07.01Structural Enzymology: The Reaction Cycle of Protein Gera-nylgeranyltransferase Type-1. Jeffrey Taylor, T. Scott Reid, Lorena Beese.

09:00-09:30 01.07.02Reaction Trajectory of Pyrophosphoryl Transfer Catalyzed by 6-hydroxymethyl-7,8-dihydroprotein. Jaroslaw Blaszczyk, Genbin Shi, Honggao Yang, Xinhua Jiang.

09:30-10:00 01.07.03Crystallographic Analysis of a DD-Peptidase-Phosphonate Complex Reveals a Transition State Analog. Nicholas R. Sil-vaggi, Shaun R. Brinsmade, Judith A. Kelly.


10:30-11:00 01.07.04Structural Basis of Caspase Inhibition. Hao Wu.

11:00-11:15 01.07.05How Myoinositol is Made in Every Living Cell. Structure and Function of IPS and IMPase from A. fulgidus. Boguslaw Stec, Kimberly Stieglitz, Kenneth Johnson, Hongying Yang, Mary Roberts.

11:15-11:30 01.07.06A Class A ß-Lactamase at Very High Resolution (0.9 Å). Michiyoshi Nukaga, Robert Bonomo, James Knox.

11:30-11:45 01.07.07Structural Studies of Human Carbonic Anhydrase III. David Duda, Craig Yoshioka, David Silverman, Lakshmanan Govin-dasamy, Robert McKenna.

11:45-12:00 01.07.08The Chemical Mechanism of ß-Lactam Synthetase Observed by X-Ray Crystallographic Snapshots. Matthew Miller, Brian Bachmann, Craig Townsend, Amy Rosenzweig.

ACA Council, SIG Chairs, FutureMeeting Chairs 01:00-06:00 Room 216

Thursday con’t next page

14

01.08 New StructuresRoom 217A Marilyn Yoder, Chair01:30-02:00 01.08.01Structure of Noncollagenous (NC1) Domain of Type IV Col-lagen: Implications for Collagen Assembly. M. Sundaramoor-thy, Muthuraman Meiyappan, Parvin Todd, Billy Hudson.

02:00-02:30 01.08.02Structure of the Human TGF-B3 - TGF-B Type II Receptor Ectodomain Complex at 2.15 Å Resolution. P. John Hart, Sha-shank Deep, Alexander Taylor, Cynthia Hinck, Andrew Hinck.

02:30-03:00 01.08.03X-ray Crystallographic and Crystal Studies on Brome Mosaic Virus. Robert Lucas, Steven Larson, Alexander McPherson.


03:30-04:00 01.08.04X-Ray Crystal Structure of the Ku Heterodimer Bound to DNA. John R. Walker, Richard A. Corpina, Jonathan Gold-berg.

04:00-04:30 01.08.05The Structure of a Novel RNA-Binding and Translocating Pro-tein, TB-RBP. Jon Robertus, John Pascal.

04:30-05:00 01.08.06Implications from the Structures of Two rRNA Modifying Enzymes, Pseudouridine Synthase and Methyltransferase. Mirek Cygler, J. Sivaraman, Gurvan Michel, Robert Larocque, Veronique Sauve, Joseph D. Schrag, Allan Matte.

Thursday, May 30

03.03 General Interest IIIRoom 217D

Gloria Borgstahl, Morning Chair

08:30-09:00 03.03.010.9 Å Structures Elucidate Correlation in Protein/Water Sub-state Dynamics and Importance to Function. Martha M. Teeter, Akihito Yamano, Bog Stec.

09:00-09:30 03.03.02Identifi cation of Metal Atoms in Protein Structures Using the Bond-Valence Method. Peter Müller, Sinje Köpke, George Sheldrick.

09:30-10:00 03.03.03Are Helium Data Really Better Than Nitrogen Data? An X-Ray Radiation Damage Study at Cryogenic Temperatures Between 40 K and 150 K. Tsu-yi Teng, Keith Moffat.


10:30-11:00 03.03.04Fine Phi Slicing Reveals the Internal Order of Protein Crystals. Gloria Borgstahl, Edward Snell, Ardeschir Vahedi-Faridi, Jeff Lovelace, Henry Bellamy.

11:00-11:30 03.03.05Structural Molecular Biology Network (SMolBNet): A Brazil-ian Effort to Promote the Dissemination of Structural Biology. Joao Barbosa, Beatriz Guimaraes, Francisco Medrano.

11:30-12:00 03.03.06Dynamic, Spectroscopic & Ultra-High Resolution Crystal Studies of Nitrophorin-NO and -CO Complexes. William Montfort, Andrzej Weichsel, Sue A. Roberts, Estelle Maes, Dmitry Kondrashov.

Ardeschir Vahedi-Faridi, Afternoon Chair

01:30-02:00 03.03.07Crystal Structures of MnSOD-peroxide Complex. Ardeschir Vahedi-Faridi, Gloria E. O. Borgstahl.

02:00-02:30 03.03.08Sulfur-SAS Simulation Study and Comparison to Synchrotron Data. Jeff Habel, Zhi-Jie Liu, M. Gary Newton, John P. Rose, Subramanyam Swaminathan, B. C. Wang.

02:30-03:00 03.03.09Cofactor Binding Induces Disorder to Order Transition in Mito-chondrial Aldehyde Dehydrogenase. Heather Larson, Thomas Hurley.


15

Thursday, May 30

03:30-04:00 03.03.10Iron Complexes in Proteins: A Structural Database Study. Amy Kaufman Katz, Jenny P. Glusker, H.L. Carrell, Charles W. Bock.

04:00-04:30 03.03.11Structural Analysis of the Cooperative Ligand-binding Path-way in the Dimeric HbI from the Blood Clam. James Knapp, Vukica Srajer, Quentin Gibson, Michael Wulff, Reinhard Pahl, Keith Moffat, William Royer.

04:30-05:00 03.03.12Structural Basis and Specifi city for Acylhomoserine Lactone Signal Production in Bacterial Quorum Sensing. William Watson, Timothy Minogue, Dale Val, Susanne Beck von Bodman, Mair Churchill.

06.01 Computer and Network SecurityRoom 217B John Bollinger, Chair

09:00-09:30 06.01.01Overview of Computer and Network Security Issues. John Bollinger.

09:30-10:00 06.01.02Data Security Issues in the X-ray Diffraction Laboratory. Nigam Rath.


10:30-11:00 06.01.03A Secure Server for ‘Sensitive’ Information. Jeffrey Des-champs.

11:00-11:30 06.01.04Data Collection Using a Novel Sequencing Technique. Keith Brister.

11:30-12:00 Open Discussion.

SP.02 Electron Microscopy of BiologicalMacromoleculesRoom 217C Bob Glaeser, Chair

08:30-09:00 SP.02.12Structure Analysis Based on Electron Crystallography at 2.5 A Resolution. Yoshinori Fujiyoshi.

09:00-09:30 SP.02.13Modeling Chemical Bonding Effects for Protein Electron Crys-tallography. Teresa Head-Gordon, Voichita M. Dadarlat, Ken-neth H. Downing, Shijun Zhong, Robert M. Glaeser.

09:30-10:00 SP.02.14Electron Crystallographic Studies of Membrane Transport Pro-teins. Sriram Subramaniam, Jurgen Heymann, Teruhisa Hirai, Peter Maloney, Dan Shi.

10:00-10:30 SP.02.15Structure, Function and Dynamics of Aquaporins investigated by EM and AFM Studies on 2D Crystals. Ansgar Philippsen, Thomas Braun, Dimitrios Fotiadis, Bert de Groot, Andreas Schenk, Simon Scheuring, Henning Stahlberg, Paul Werten, Helmut Grubmuller, Andreas Engel.

16

Biological Macromolecule Structures and TechniquesP001 Monday, May 27Aqualysin I, a Serine Protease from a Member of the Subtilisin Superfamily: The Crystal Structure from an Extreme Thermo-phile, Thermus aquaticus YT-1. Bobby Barnett, Philip Green, Larry Strickland, Timothy Rydel, H. Matsuzawa, T. Ohta, John Sullivan, J.D. Oliver.

PP002 Sunday, May 26Structural Studies of the MMLV Reverse Transcriptase in Com-plex with DNA. Debanu Das, Millie M. Georgiadis.

P003 Tuesday, May 28Impact of Surface Mutations on the Crystallizability of the Globular Domain of RhoGDI. Jan Czepas, Agnieszka Mateja, Kenton Longenecker, Yancho Devedjiev, Zbigniew Dauter, Urszula Derewenda, Zygmunt S. Derewenda.

PPX004 Sunday, May 26High Resolution (1.17Å) Structure of Obelin in Complex with Coelenterazine h. Lu Deng, Eugene S. Vysotski, Bruce R. Branchini, Zhi-Jie Liu, John Lee, John Rose, Bi-Cheng Wang.

P005 Monday, May 27The Structure of EC1535 from 1.4-Å MAD Data Collected at the Structural Biology Center 19BM Beamline. R. Zhang, R. W. Alkire, F. J. Rotella, N. E. C. Duke, A. Joachimiak, A. Edwards, A. Savchenko.

P007 Monday, May 27Algebraic Direct Methods for Few-Atoms Structure Models. D. Y. Guo, Robert H. Blessing.

PPX008 Sunday, May 26Structural Studies on the RNA Binding Domain of the Nuclear Export Factor TAP. Dona Ho, Glen Coburn, Bryan Cullen, Millie Georgiadis.

P009 Tuesday, May 28Structural Basis of Gating by the Outer Membrane Transporter FecA. Andrew Ferguson, Ranjan Chakraborty, Barbara Smith, Lothar Esser, Dick van der Helm, Johann Deisenhofer.

PPX010 Sunday, May 26Proteolysis and Dimerization in Human Prion Protein Crystals. Karen Knaus, Manuel Morillas, Wieslaw Swietnicki, Witold Surewicz, Vivien Yee.

P011 Tuesday, May 28Structure of the Anti-DNA Autoantibody A52. Robyn Stan-fi eld, Dan Eilat, Ian Wilson.

PP012 Sunday, May 26Flash Cooling and Annealing of Protein Crystals. Sergey Krim-inski, Craig Caylor, Ken Finkelstein, Robert Thorne.

P013 Tuesday, May 28Crystal Structure of a Tetrameric GDP-D-mannose 4,6-Dehy-dratase from the GDP-L-fucose Biosynthetic Pathway of Ara-bidopsis thaliana. Anne Mulichak, Christopher Bonin, Wolf Dieter-Reiter, R. Michael Garavito.

P014 Monday, May 27Understanding the Rules of Protein: RNA Interactions. Jeffrey Myers, Yousif Shamoo.

PPX015 Sunday, May 26Structures of Two Homologous Antibodies in Complex with Different Carbohydrate Antigens. Hoa P. Nguyen, Nina O. L. Seto, C. Roger MacKenzie, Lore Brade, Paul Kosma, Helmut Brade, Stephen V. Evans.

P016 Tuesday, May 28DINO: A Comprehensive Visualization Program For Structural Biology Data. Ansgar Philippsen.

P017 Monday, May 27CueO, A Multi-Copper Oxidase Required for Copper Homeo-stasis in E. coli. Sue A. Roberts, Andrzej Weichsel, Gregor Grass, Keshari Thakali, James T. Hazzard, Gordon Tollin, Christopher Rensing, William R. Montfort.

P017A Monday, May 27Ultra High Resolution Serratia Endonuclease. Kurt L. Krause, Mitchell Miller, Pierre LeMagueres.

New Experimental Methods inMacromolecular CrystallographyP018 Monday, May 27‘OMIT’ Phase Improvement at Low/Middle Resolution. David Langs, Alexandre Kuzin.

P019 Tuesday, May 28Automation of Macromolecular Data Collection - Integration of Data Collection and Data Processing. Harold R. Powell, Graeme Winter, Andrew G.W. Leslie, Colin Nave, Elizabeth

Posters

Manned Poster Sessions Exhibit Hall D 05:30p.m. - 07:30p.m.Sunday, May 26Monday, May 27Tuesday, May 28

Posters:• Will be up Sunday - Wednesday on 4ft. x 4ft. boards• Should be assembled between 10:00a.m. - 5:00p.m. on Sunday• Should be removed between 12:00 - 04:00p.m. on Wednesday• Numbers including PP, indicate candidates for the Pauling Prize• Numbers including an X indicate candidates for the Oxford Prize

17

Duke, Stephen H. Kinder, Dave Love, Sean McSweeney, Olof Svensson, Darren Spruce, Solange Delageniere.

PX020 Sunday, May 26Probing the Limits of an In-house SAS Phasing Using Focused Chromium X-Rays. John P. Rose, Zhi-Jie Liu, M. Gary Newton, J.W. Pfl ugrath, Cheng Yang, Joseph D. Ferrara, B.C. Wang.

P021 Monday, May 27Theoretical and Experimental Study of Protein Crystallography Systems Based on High Brilliance Rotating Anode Generators and CMF Optics. Cheng Yang, Kris Tesh, Courville Adam, Joseph Ferrara.

P022 Tuesday, May 28Development of New Hardware and Tools for Macromolecular Cryocrystallography. Cary Bauer, Matthew Benning, Bob He, Roger Durst, Max Li.

P023 Monday, May 27Towards Structure Determination of Membrane Proteins in 2-D Crystals Using Next-Generation Hard X-Ray Sources. Michael Becker.

P024 Tuesday, May 28Practical Phasing from Single Wavelength Data. Dominika Borek, Wladek Minor, Zbyszek Otwinowski.

P025 Monday, May 27Advances in CCD Technology for Macromolecular Crystallog-raphy. Roger Durst, Cary Bauer, Mathew Benning, James Phil-lips, Don Osten, Steven Naday.

P026 Sunday, May 26Extension of Home Laboratory Phasing Capabilities Using Chromium Radiation. Joseph Ferrara, Cheng Yang, James Pfl u-grath, Adam Courville.

P027 Tuesday, May 28Ultra High Resolution Protein Crystallography: Accurate Valence Density and Derived Electrostatics. Claude Lecomte, Benoit Guillot, Nicolas Muzet, Christian Jelsch.

P028 Sunday, May 26Structure Determination of P. aeruginosa Lectin-1 Using Single Wavelength Anomalous Scattering Data From Native Crystals. Zhi-jie Liu, Wolfram Tempe, Khanita Karaveg, Ron J. Doyle, John P. Rose, B.C. Wang.

P029 Monday, May 27Protein Crystallization of Under 3D-clinostat Rotation. Hideaki Moriyama, Megumi Kobayashi, Hisanobu Sakai.

P030 Sunday, May 26Determination of Structure-Factor Phases from Measured Triplet-Phases by Reference-Beam Diffraction. Qun Shen, Jun Wang.

P031 Tuesday, May 28Generating Conventional Heavy Atom Derivatives by a Quick Soak Method. Peter Sun, Sergei Radaev, Michael Kattah.

P032 Monday, May 27Adding Hydrogen Improves Macromolecular Crystallographic Models. Thomas R. Transue, Joseph M. Krahn, Thomas Darden.

Structural Genomics: Are All the Pieces Ready?P033 Tuesday, May 28Structural Genomics Automated Structure Determination. Joseph Brunzelle, P. Shafaee, S. Weigand, X. Yang, Z. Ren, W. Anderson.

PX034 Sunday, May 26Counter-diffusion and Single Anomalous Scattering; A New Procedure for High Throughput Crystallography. Jose Gavira, Liu Zhi-Jie, Bi-Cheng Wang, Diana Toh, Joseph Ng.

P035 Monday, May 27First Fruits: SGX and Bacterial Structural Genomics. Frances Park, Ketan Gajiwala, Lydia Wu, Dongmei He, Janessa Molinari, Kim Loomis, Barbara Pagarigan, Peggy Kearins, Jon Christo-pher, Tom Peat, John Badger, Jorg Hendle, Sean Buchanan.

P036 Sunday, May 26Antisense Genes and Codon Bias in Short Chain Oxido Reduc-tase (SCOR) Enzymes and the Evolution of the Genetic Code. William L. Duax, A. Addlagatta, V. Pletnev, P. Yu.

P037 Tuesday, May 28Structural Genomics of C. elegans. Ming Luo.

P038 Monday, May 27High-throughput Crystal Screening at Stanford Synchrotron Radiation Laboratory. Mitchell Miller, Linda Brinen, Ashley Deacon, Peter Kuhn, Timothy McPhillips, Henry van den Bedem, Guenter Wolf, Zepu Zhang, Jian Zhong.

P039 Sunday, May 26Software for the Automated Assessment of Crystallization Trials. John Priestle, Glen Spraggon.

P040 Sunday, May 26Crystallographic Concept Library (CCL) and Crystallographic Protocol Library (CPL). Xiaojing Yang, Joseph Brunzelle, Steven Weigand, John Shafaee, Wayne Anderson, Zhong Ren.

Structure-Based Drug DesignPP042 Sunday, May 26Novel Way to Determine the Binding Mode of Inhibitors Using Anomalous Signals. Jungwoo Choe, Kevin Kennedy, Stephen Suresh, Mike Gelb, Wim Hol.

P043 Tuesday, May 28The Importance of High-Throughput Crystallography in Support of Structure Based Drug Design. Holly A. Heaslet, Ma Sha.

Posters

18

PP044 Sunday, May 26Substrate Promiscuity of an Aminoglycoside Antibiotic Resistance Enzyme via Target Mimicry. Desiree Fong, Albert Berghuis.

P045 Monday, May 27Unexpected Binding Orientation of Diclofenac in the Cycloox-ygenase-2 Active Site. James Kiefer, Jennifer Pawlitz, James Gierse, Scott Rowlinson, Lawrence Marnett, William Stallings, Ravi Kurumbail.

P046 Tuesday, May 28The Crystal Structure of the Alanine Racemase DadX from Pseudomonas. Pierre Le Magueres, Hookang Im, Chetlen Crossnoe, Kurt Krause.

P047 Monday, May 27Analysis of HIV-1 Protease Mutants to Understand Mecha-nisms of Resistance. Bhuvaneshwari Mahalingam, Peter Boross, Yuan-Fang Wang, John Louis, Jozsef Tozser, Robert Harrison, Irene Weber.

P048 Tuesday, May 28Structure-based Drug Discovery in an Informatics Environment. Igor Mochalkin, T. Oldfi eld, D. Berard, A. Burye, S. Szalma, R. Hubbard.

P049 Monday, May 27A Novel Property-based Technique to Navigate Through the Infor-mation on Ligands and Inhibitors in Macromolecular Structures. M. D. Prasanna, V. Ravichandran, Gary Gilliland, T. N. Bhat.

PX050 Sunday, May 26Molecular Mechanism of I50V HIV-1 Protease Resistance and Cross-resistance to Protease Inhibitors. Xu Robert, Webb Abdrews, Andrew Spaltenstein, Luke Carter, Eric Frufi ne.

P051 Tuesday, May 28Crystal Structures of a Broadly Neutralizing Antibody: Two Templates for HIV-1 Vaccine Design. Erica Saphire, Michael Zwick, Ralph Pantophlet, Alfredo Menendez, Garrett Morris, Paul Parren, Jamie Scott, Dennis Burton, Ian Wilson.

PX052 Sunday, May 26Experimental Electron Density of Zn-aspirinate Complex: The Subtlety of a 3d10 Metal Bonding to a Drug-ligand. Anne Spa-sojevic, A. Kremenovic, N. Bouhmaida, G. Morgant, N.E. Ghermani.

P052A Tuesday, May 28Co-crystallization of Staphylococcus aureus Peptide Deformy-lase with Potent Inhibitors. Melissa Harris, Jeffrey Bock, Joyce Cialdella, Gil Choi, Kimberly Curry, Martin Deibel, Jon Jacob-sen, Vincent Marshall, Robert Murray, Eric Baldwin.

Protein Folding and DesignP053 Monday, May 272D Crystal Structures of Protein Kinase C, Its Regulatory Domain, and the Enzyme Complexed with Myelin Basic Pro-tein. Alexander Solodukhin, Julie Sando, Robert Kretsinger.

P054 Monday, May 27A Shape-shifting Pathway for Inside-out Signaling Revealed by the Structures of Mutant Integrin aL I Domains with High and Intermediate Affi nities. Tsan Xiao, Motomu Shimaoka, Yuting Yang, Alison McCormack, Junichi Takagi, Jia-huai Wang, Tim-othy A. Springer.

P055 Monday, May 27Data Mining Using PDB. Manickam Yogavel, Devadasan Velm-urugan, P. Selvarani, K. Sekar.

P055A Tuesday, May 28Continuous Probability Distribution of Rotamers (X-CUPID). Zeljko Dzakula.

Diffi cult Macromolecular StructuresP056 Tuesday, May 28Crystallographic Evidence for a Unique Type of Domain Swap-ping in Peroxisomal Thioesterase PTE-1. Yancho Devedjiev, Jia Li, Ulla Derewenda, Zbigniew Dauter, Zygmunt Derewenda.

Macromolecular Motions and DynamicProcessesP057 Monday, May 27Ligand Exchange Between Proteins: Exchange of Biotin and Derivatives Between Avidin and Streptavidin. Yael Pazy Benhar, Edward Bayer, Meir Wilchek, Oded Livnah.

PP058 Sunday, May 26Comparative Analysis of the apo and GDP-bound NG domain of Thermus aquaticus Ffh at Ultra High Resolution. Ursula D. Ramirez, Anita M. Preininger, Pamela J. Focia, Douglas M. Freymann.

P059 Tuesday, May 28Time-Resolved Macromolecular Crystallography at BioCARS. V. Srajer, R. Pahl, K. Brister, W. Schildkamp, K. Moffat.

P060 Monday, May 27Correlated Alternative Side-chain Conformations in the RNA-Recog-nition Motif of hnRNP A1. Jacqueline Vitali, Jianzhong Ding, Jian-zhong Jiang, Ying Zhang, Adrian R. Karainer, Rui-Ming Xu.

P061 Tuesday, May 28Crystalline Langat Virus Envelope Protein Domain-III Forms Pentameric Rings. Mark A. White, Deqian Liu, Robert O. Fox.

Posters

19

PX062 Sunday, May 26A Bacterial Collagen-Binding Domain With Novel Calcium-Binding Motif Controls Domain Orientation. Jeffrey Wilson, Osamu Matsushita, Akinobu Okabe, Joshua Sakon.

Enzyme MechanismP063 Monday, May 27Structural Diversity in the 4-Oxalocrotonate Tautomerase (4-OT) Family. J. J. Almrud, M. L. Hackert, S. C. Wang, W. H. John-son, C. P. Whitman.

P064 Tuesday, May 28Crystallization and Preliminary Structure of Human Short/Branched Chain Acyl-CoA Dehydrogenase. Kevin Battaile, Zhuji Fu, Jerry Vockley, Jung-Ja Kim.

P065 Monday, May 27Structural Determination of an Acyl-Intermediate in the Cata-lytic Cycle of Aspartate Semialdehyde Dehydrogenase. Julio Blanco, Roger Moore, Ronald Viola.

PPX066 Sunday, May 26Protocatechuate 3,4-dioxygenase from Brevibacterium fuscum. C. Kent Brown, David Burke, Cathy Earhart, Douglas Ohlendorf.

P067 Tuesday, May 28Crystal Structure of S. marcescens Chitinase A: Active-Site Mutant W539A. Liqing Chen, Edward X. Zhou, Brian A. Halloran, Mikhail F. Alexeyev, Nathan N. Aronson, Jr., Edward J. Meehan.

P068 Monday, May 27Structure of Tyrosyl-DNA Phosphodiesterase; An Enzyme That Disjoins Topoisomerase I-DNA Complexes. Douglas Davies, Heidrun Interthal, James Champoux, Wim Hol.

P069 Tuesday, May 28A Halide Substrate Bound in the Distal Heme Cavity of Myelo-peroxidase. Tristan J. Fiedler, Roger E. Fenna.

P070 Monday, May 27High Resolution X-Ray Structure and Potent Anti-HIV Activ-ity of Recombinant Dianthin Antiviral Protein (rDAP). Igor V. Kurinov, Francis Rajamohan, Fatih M. Uckun.

P071 Tuesday, May 28Three-dimensional Structures of the Toxoplasma gondii HGPRT Triple Mutant (S81G/R82Y/G83K) Complexed with Two Purine Nucleotides. Alexandre Kuzin, Annie Heroux, Lucile White, Larry Ross, David Borhani, Rongbao Li.

PPX072 Sunday, May 26Structure-Function Relationship of the ABO Blood Group Glyco-syltransferases. Sonia I. Patenaude, Nina O. L. Seto, Svetlana Bor-isova, Adam Szpacenko, Monica M. Palcic, Stephen V. Evans.

P073 Monday, May 27Potential Transition State Analogs for Amino Acid Activation-step Catalyzed by Tryptophanyl-tRNA Synthetase. Chris J. Siemer, Pascal Retailleau, Charles W. Carter, Jr.PP074 Sunday, May 26A 1.4 Å Structure of Mitochondrial Aldehyde Dehydrogenase: Understanding Nicotinamide Isomerization. Samantha Perez-Miller, Thomas D. Hurley.

P075 Tuesday, May 28Evidence for a Unique Cleavage Site in the Viral Serpin CrmA. Miljan Simonovic, Edward Campbell, Peter Gettins, Karl Volz.

PPX076 Sunday, May 26The Structure of the OXA-1 Class D beta-Lactamase. Tao Sun, Michiyoshi Nukaga, Gregg Crichlow, Alexandre Kuzin, James Knox.

P077 Monday, May 27Structural Studies of Human Myeloperoxidase Reveal Unusual Heme Binding. Zhongmin Wang, Christian Obinger, Daniel Carter.

PP078 Sunday, May 26Structural Analysis of Protein Prenyltransferases: A Molecular Basis for Substrate Specifi city. Kimberly Terry, T. Scott Reid, Jeffrey Taylor, Lorena Beese.

P079 Tuesday, May 28Complementing the Structural Description of the Catalytic Func-tion of Tryptophanyl-tRNA Synthetase by Enzymological and Thermodynamic Studies. Violetta Weinreb, Charles W., Jr. Carter.

PP080 Sunday, May 26Structural Basis for Regulation of Eph Receptor Tyrosine Kinase Activity by the Juxtamembrane Region. Leanne E. Wybenga-Groot, Berivan Baskin, Siew Hwa Ong, Jiefei Tong, Tony Pawson, Frank Sicheri.

P081 Monday, May 27The 1.26Å Crystal Structure of Y204A Mutant of the cAMP-Dependent Protein Kinase: Insight into the Catalytic Mechanism and Role of the P+1 Loop in the Catalysis. Jie Yang, Susan Taylor.

P082 Tuesday, May 28Structural Basis for Transcription Initiation to Elongation in T7 RNA Polymerase. Yuhui Whitney Yin, Thomas Steitz.

New Macromolecular StructuresPP083 Sunday, May 26Purifi cation and Crystalization of Asparagine Synthetase from Escherichia coli. Aaron Dossey, Sheldon Shuster, Robert McK-enna, Sue Boehlein, Mavis Agbandje-McKenna, Bennett Davis.

P084 Monday, May 27Granulysin Crystal Structure and a Structure-Derived Lytic Mechanism. Daniel H. Anderson, Michael Sawaya, Duilio Cascio, William A. Ernst, Robert Modlin, Alan Krensky, David Eisenberg.

Posters

20

PP085 Sunday, May 26Functional Analysis of RNA Binding by the SAM Domain of Drosophila Smaug. Tzvi Aviv, Craig Smibert, Frank Sicheri.

P086 Tuesday, May 28Structure of an Anti-parallel Actin Dimer. Christian Banchs, Michael Bubb, Lakshmanan Govindasammy, Elena Yarmola, Tha-yumanasmay Somasundaram, Michael Chapman, Sergey Voro-biev, Steven Almo, Mavis Agbandje-McKnna, Robert McKenna.

PP087 Sunday, May 26Structure of a Complex of CAP, RNA Polymerase Alpha Subunit C-Terminal Domain and DNA. Brian Benoff, Cathy Lawson, Huanwang Yang, Yon Ebright, Richard Ebright, Helen Berman.

P088 Monday, May 27Structural Studies of the Ubiquinone: Succinate Dehydroge-nase: A Mitochondrial Membrane Protein. David Cobessi, Zha-olei Zhang, Lishar Huang, Edward Berry.

PX089 Sunday, May 26The Crystal Structure of the PDZ Domains of Syntenin. David Cooper, Beom Sik Kang, Ulla Derewenda, Yancho Devedjiev, Zbigniew Dauter, Zygmunt Derewenda.

P090 Tuesday, May 28Crystal Structures of Protein: DNA Complexes of MMLV RT LTR and a DNA Analog of HIV-1 RT PPT. Marie Cote, Dona Ho, Millie Georgiadis.

PP091 Sunday, May 26PKR Subversion by the Vaccinia Virus Protein K3L. Arvin C. Dar, Frank Sicheri.

P092 Monday, May 27Cubic Crystal Forms of the Actin Binding Protein Profi lin from Acanthamoeba and Saccharomyces Cerevisiae. Alexander Fedo-rov, Sergei Vorobiev, Wuxian Shi, Elena Fedorov, Steve Almo.

PP093 Sunday, May 26Crystallographic Analysis of E. coli 2, 4-Dienoyl CoA Reduc-tase. Paul Hubbard, Xiquan Liang, Horst Schulz, Jung-Ja Kim.

P094 Tuesday, May 28Crystal Structures of MtaN, a MerR family Member and Global Activator of Multidrug Transporter Genes. Michael Godsey, Richard Brennan.

PP095 Sunday, May 26Structure-Function Analysis of the Polo Domain. G. C. Leung, J. W. Hudson, A. Kozarova, J. Dennis, F. Sicheri.

P096 Monday, May 27High Resolution Study of an Antibody Catalyzing a Bimolec-ular Cycloaddition Reaction. Andreas Heine, Jonathan Toker, Paul Wentworth, Kim Janda, Ian Wilson.

PP097 Sunday, May 26Crystal Structure of Human Placental Estrone Sulfatase, A Membrane-bound Enzyme in Estrogen Biosynthesis. Fran-cisco G. Hernandez-Guzman, Tadayoshi Higashiyama, Yoshio Osawa, Debrashis Ghosh.

P098 Tuesday, May 28Structural Studies of RB69 Single-stranded DNA Binding Pro-tein. Siyang Sun, Yousif Shamoo.

PP099 Sunday, May 26The Crystal Structure of N-terminal Domain and the First ATPase Domain of ClpB. Jingzhi Li, Bingdong Sha.

P100 Tuesday, May 28Crystal Structure of the DNA-binding Domain of Ndt80, a Novel Transcription Factor from S. cerevisiae. Sherwin P. Mon-tano, Marie Cote, Michael Pierce, Andrew K. Vershon, Millie M. Georgiadis.

PP101 Sunday, May 26Towards the Structure Determination of the C-Terminal Frag-ment of Endopeptidases: Lysostaphin & ALE-1. Zhiqiang Lu, Joshua Sakon, Motoyuki Sugai.

PP102 Sunday, May 26Crystallization and Preliminary X-ray Analysis of a 35 KDa Glob-ulin. M.C. Ramrez, Manuel Soriano-Garcia, Hideaki Moriyama.

PP103 Sunday, May 26Crystallization and Preliminary X-Ray Diffraction Data for P37 From Mycoplasma Hyorhinis. Robbie Reutzel, Robert McKenna, Mavis Agbandje-McKenna, Sheldon Schuster, Lak-shmanan Govindasamy, Sue Boehlein.

P104 Monday, May 27Structural Basis for Cdk6 Activation by a Virus-Encoded Cyclin. Ursula Schulze-Gahmen, Sung-Hou Kim.

PPX105 Sunday, May 26The X-Ray Crystal Structure of a Eukaryotic Serine/threonine Kinase with a Histidine-kinase Fold. C. Nicklaus Steussy, Robert A. Harris, Kirill Popov, Melissa Bowker-Kinley, Jean Hamilton.

PP106 Sunday, May 26X-Ray Structure of FALS Mutant CuZnSOD D125H: Implica-tions for the Role of Bicarbonate in Peroxidative Reactions Cata-lyzed by CuZnSOD. Jennifer Stine Elam, Kevin Malek, Jorge Rodriguez, Peter Doucette, Alexander Taylor, Lawrence Hayward, Diane Cabelli, Joan Valentine, P. John Hart.

P107 Monday, May 27P. aeruginosa Lectin-1 in Complex with D-galactose at Near-atomic Resolution. Wolfram Tempel, Zhi-Jie Liu, Khanita Kara-veg, Ronald J. Doyle, John P. Rose, Bi-Cheng Wang.

P108 Tuesday, May 28Size and Shape of Aggregated Synthetic Melanin by Small Angle X-Ray Scattering. Pappannan Thiyagarajan, James Gallas, Ken-neth Littrell, Gerry Zajac.

Posters

21

P109 Monday, May 27Toward the Crystal Structure of Tomato Chloroplastic Cu,Zn Superoxide Dismutase. Susan T. Thomas, Amir Liba, Alexander B. Taylor, Aram M. Nersissian, Joan S. Valentine, P. John Hart.

P110 Tuesday, May 28Crystal Structure of the Catalytic Domain of the Homing Endo-nuclease I-TevI. Patrick Van Roey, Lisa Meehan, Joseph C. Kowalski, Marlene Belfort, Victoria Debyshire.

P112 Monday, May 27Crystal Structure of Integrin avb3. Jian-Ping Xiong, Thilo Stehle, Ronggong Zhang, Andrej Joachimiak, Simon Goodman, M. Amin Arnaout.

PP113 Sunday, May 26Crystallization and Preliminary X-ray Diffraction Analysis of an Aerotaxis Transducer, HemAT. Wei Zhang, George Phillips, Jr .

P113A Tuesday, May 28The Crystal Structure of Trichomonas Vaginalis Ferredoxin - Insight into Metronidazole Activation. Kurt Krause, Chetlen Crossnoe, Pierre LeMagueres.

P113B Monday, May 27The Complex of Arl2-GTP and PDEdelta: From Structure to Function. Roman Hillig, Michael Hanzal-Bayer, Louis Renaul, Pietro Roversi, Alfred Wittinghofer.

PP113C Sunday, May 26Structure of E. coli Exopolyphospatase. Johnjeff Alvarado, Miriam S. Hasson, David A. Sanders.

Crystal GrowthPP114 Sunday, May 26Characterization of Supersaturated Protein Solutions in Micrograv-ity. Clayton Hall, Lori Wilson, Amanda Brown, John Clemens.

P115 Tuesday, May 28Controlled Vapor Diffusion for the Crystallization of Equine Serum Albumin Using Second Virial Coeffi cient Data. Alireza Arabshahi, W. William Wilson, Terry Bray, Larry DeLucas.

P116 Monday, May 27The Effect of Homologous Impurities on Crystallization of Hen Egg-White Lysozyme. Jorge Santos, Constance Schall, Eva Skrzypczak-Jankun.

P117 Tuesday, May 28Equilibrium Kinetics Studies and Crystallization Aboard the International Space Station (ISS) Using the Protein Crystalliza-tion Apparatus for Microgravity (PCAM). Aniruddha Achari, Dana Roeber, Cindy Barnes, Craig Kundrot.

PX118 Sunday, May 26The Optimization of Macromolecular Crystal Cryocooling Using Powder Diffraction and Thermal Imaging Techniques. Michael McFerrin, Mark van der Woerd, Russell Judge, Michael Larson, Edward Snell.

P119 Monday, May 27Intelligent Computational Aids for Crystallization Screens (First and Second Stage) and Crystal Optimization. John Rosenberg, Daniel Hennessy, Bruce Buchanan.

P120 Tuesday, May 28Parallel High Throughput Screening Method for Protein Crys-tallization in 96 Well Microplates. Lajos Nyársik, Hans Leh-rach, Günther Knebel.

P120A Sunday, May 26Dynamics and Crystal Nucleation in Protein Solutions. C.F. Zukoski, Amir Mirarefi , Amit Kulkarni.

Electron MicroscopyP121 Tuesday, May 28Advanced Instrumentation for High Resolution Transmission Electron Microscopy Structure Determination. B. Armbruster, R. O’Donnell, M. Kersker, M. Kawasaki, K. Fukushima.

Synchrotron Data for Macromolecule ResearchP122 Tuesday, May 28Multiwavelength Anomalous Diffraction and Macromolecular Phasing. Devadasan Velmurugan, Venkatachalam Rajakannan, M. Yogavel, Takashi Yamane, S. Shanmuga Sundara Raj, K. Sekar.

P123 Monday, May 27NIGMS East Coast Structural Biology Facility. Marc Allaire, Lonny Berman, Erik Johnson, Peter Siddons, Zhijian Yin, Vivian Stojanoff.

P124 Tuesday, May 28The New Macromolecular Structure Beamline at CAMD. Henry Bellamy, Scott Dodd, Mark White, Robert Fox, George Phillips, Benjamin Craft, Mitchell Miller.

P125 Tuesday, May 28Calibration and Testing of Large Area X-Ray Detector for Syn-chrotron Crystallography. James Phillips.

P126 Monday, May 27Progress at the Canadian Macromolecular Crystallography Facility (CMCF) at the Canadian Light Source (CLS). J. Wilson Quail, Louis T. J. Delbaere, Ernst Bergmann, Pawel Grochulski, Emil Hallin.

P127 Monday, May 27BioCARS Facility for Macromolecular Crystallography at the Advanced Photon Source. Reinhard Pahl, Keith Brister, William Desmarais, Robert Henning, Gary Navrotski, Zhong Ren, Wil-fried Schildkamp, Vukica Srajer, Teng Tsu-yi, Keith Moffat.

Posters

22

General Interest Topics and StructuresP128 Monday, May 27X-Ray Diffraction by Heterojunction When Surface Layer Polarizabil-ity has a Parabolic Distribution. Siranush E. Bezirganyan, Hakob P. Bezirganyan, Hayk H. Bezirganyan, Petros H. Bezirganyan, Jr.

P129 Monday, May 27Structual Studies of the La Protein’s tRNA Processing Function. John Bruning, Yousif Shamoo.

P130 Tuesday, May 28Structural Studies of Two Enzymes Involved in the Production of the Antibiotic Valanimycin. Rafael Counago, Ronald Parry, Yousif Shamoo.

PP131 Sunday, May 26Structural Comparison of Fab Molecules. Christina DeWitt, A.B. Edmundson.

P132 Monday, May 27Supramolecular Encapsulation of a Hydrated Metal Ion: A Daunting Structural Determination. Gary Enright, Sean Dal-rymple, George Shimizu.

P133 Sunday, May 26Synthesis and Characterization of Sol-Gel Zirconium Phosphate with Template Surfactants. Carla Ferragina, Patrizia Cafarelli, Romolo di Rocco, Lucantonio Petrilli.

P134 Tuesday, May 28Phenomena of Structure Order/disorder in Pb-Containing Com-plex Perovskites with the Relaxor Ferroelectrics Properties. Alla R. Lebedinskaya, Mikhail F. Kupriyanov.

P135 Monday, May 27Absolute Confi guration Studies on Organic Compounds Con-taining Only CHNO. L. M. Liable-Sands, R. C. B. Copley, A. M. Griffi n, R. C. Haltiwanger.

PP136 Sunday, May 26BioInformatics Software Resource (BISR), Building the Tech-nical Infrastructure for Bioinformatics. Padma-Priya Paragi-Vedanthi, Talapady Narayana Bhat , Gary Gilliland.

P137 Tuesday, May 28SCrAPS: Service Crystallography at Advanced Photon Sources. Maren Pink, John C. Bollinger, Kianosh Huffman, John C. Huffman.

P138 Monday, May 27Analogs of the Experimental Alzheimer Drug Phenserine. Judith Flippen-Anderson, Jeffrey R. Deschamps, Clifford George, Nigel Greig, Qin-sheng Yu.

Fiber DiffractionP139 Tuesday, May 28WinLALS for a Linked-Atom Least-Square Refi nement Pro-gram for Helical Polymers on Windows PCs. K. Okada, Keiichi Noguchi, Okuyama Kenji.

P140 Tuesday, May 28Fiber Diffraction Studies of Potato Virus X. Kelly Lynch, Gerald Stubbs, Amy Kendall, Lauren Parker, Nicholas Taraska.

Materials SciencePP141 Sunday, May 26A 2:1 Compound in the La - Ru - O System. Andreja Bencan, Goran Drazic, Anton Meden, Iztok Arcon, Janez Holc, Marko Hrovat, Marija Kosec.

P142 Tuesday, May 28Morphology Modeling Lite. Leonard Soltzberg, Jill Kolb, Dani-elle Marr, Martine Wooley.

Neutron ScatteringPPX143 Sunday, May 26Unusual Charge Transfers between Inplane Orbitals in Layered La

0.92Sr

2.08Mn

2O

7. Xiangyun Qiu, Simon J. L. Billinge, John F.

Mitchell, Carmen R. Kmety-Stevenson.

General Small Molecule Structures andTechniquesPPX144 Sunday, May 26Photocrystallography, Ir and Dft Calculations of Solid-State Photo Induced Linkage Isomers of Ruso2 Complexes. Andrey Kovalevsky, Kimberly Bagley, Philip Coppens.

P145 Monday, May 27Rapid IP Small Molecule Data Collection and Structure Solu-tion Using a MicroMax Generator - Experiences with Small Samples and High Throughput. Garold Bryant, Fusen Han.

PPX146 Sunday, May 26Crystallographic Studies of Diphosphinated Fischer Cr(0)and W(0) Carbenes. Eric W. Reinheimer, Christopher G. Tisserat, Tiffany Lu, Jeffrey C. Madrid, Katherine A. Kantardjieff, Joseph A. Casalnuovo.

P147 Tuesday, May 28Charge Density Studies of the S

2I

42+ Cation. Stan Cameron,

Kathy Robertson.

PPX148 Sunday, May 26Experimental Charge Density Study and Topological Analysis of Taurine at 100 K. Jose Sabino, Eduardo Castellano.

Posters

23

P149 Monday, May 27Further Development of the Microfocusing Source and 2D Mul-tilayer Optic Based Mo Radiation Beam Generation System. Boris Verman, Bonglea Kim, Srivatsan Seshadri, Licai Jiang.

P150 Tuesday, May 28In-situ Crystallization of Molecular Complexes From Liquids. The Old Masters’ Workshop Revisited. Sergey Lindeman, Jay Kochi.

P151 Monday, May 27Maximum Likelihood Based Structure Determination From Powder Diffraction Data. Anders Markvardsen, William David, Kenneth Shankland.

P152 Tuesday, May 28A Global Optimization Method for the Phase Problem in X-Ray Crystallography. Anastasia Vaia, Nick Sahinidis.

P153 Monday, May 27Phase Transitions in Elpasolities (Substitutional Series Cs

2NaGa

xSc

1-xF

6). Antonio Carlos Doriguetto, Yvonne O. Mas-

carenhas, J.E. Ellena, T.M. Boschi, P.S. Pizano, N.M. Khaidukov.

PX154 Sunday, May 26A Challenging Dehydroeudesmanone Sesquiterpene with Z’=4. Low-T Structure and Absolute Confi guration. Frank Fronczek, Nikolaus Fischer.

P155 Tuesday, May 28Disubstituted 1,1-Difl uoro-Allenes. J.A. Golen, J. Chen, G.B. Hammond, Q. Shen, A. Chandrasekaran.

Small Angle ScatteringPPX156 Sunday, May 26Crystal Structure and Charge Density Analysis of Sodium 3,5-Dinitrobenzoate. Ian B. Cooper, Kenneth L. Martin, Edwin D. Stevens.

P157 Monday, May 27Temperature and Shear Dependent Phase Behavior of Triblock Copolymer PEO

133PPO

50PEO

133 in Electrolyte Solution. Lixin

Fan, P. Thiyagarajan.

P158 Tuesday, May 28Microfocusing Source and Multilayer Optic Based High-Flux and Low-Background SAXS System. Licai Jiang, Boris Verman, Bonglea Kim.

P159 Monday, May 27BioCAT: A New Facility for Macromolecular Small-Angle Solu-tion Scattering at the APS. Elena Kondrashkina, Eliah Aronoff-Spencer, Steve Almo, Tom Irving.

P160 Tuesday, May 28A Center for Structural Molecular Biology at Oak Ridge National Laboratory. Gary Lynn, Paul Butler, George Wignall.

Computational Crystallography - A Tribute to Robert SparksPP161 Sunday, May 26A Computational System for Comparison of Molecular Frag-ments of Similar Confi guration. Alexandre Araujo, Eduardo Castellano.

P162 Monday, May 27Semi-automated Indexing of Crystal Faces from Multiple Views of a Crystal Body. Joerg Kaercher.

P163 Tuesday, May 28On Intergrating the Techniques of Direct Methods and SIRAS: The Theoretical Basis and Applications. Hongliang Xu, Herbert A. Hauptman.

P164 Monday, May 27MERO: A Program for Locating Pseudo-Merohedral Twinning. Douglas Powell.

The Processing of CCD and Image-Plate DataP165 Tuesday, May 28Experimental Errors Correction of Crystal Diffraction Data Using 3-Dimensional Models with Free-R. Zheng-Qing Fu, John Rose, Bi-Cheng Wang.

P166 Monday, May 27Indexing and Data Processing for Mosaicity Challenged Twinned Crystals Using Dirax and EvalCCD X-Ray Tracing. Rob W. W. Hooft, Leo H. Straver, Albert J. M. Duisenberg, Antoine M. M. Schreurs, Frank Van Meurs.

Teaching CrystallographyP168 Sunday, May 26Models for the Crystallography Course. Wally Cordes.

Cool StructuresP169 Sunday, May 26X-Ray Crystal Structure Analysis of a Pyridinophane Deriva-tive. S. Narasingarao, Sundari Baskaran, Venkatachalam Raja-kannan, Devadasan Velmurugan, M. Dhanasekaran.

P170 Monday, May 27X-Ray Crystallographic Analysis of 2,6Bis(N,N‚ Benzotriazole Methyl)Pyridine. S. Selvanayagam, Venkatachalam Rajakan-nan, Devadasan Velmurugan, S. Narasingarao, M. Dhanasek-aran, Moon-Jib Kim.

PPX171 Sunday, May 26The Crystal and Molecular Structure of (NH

4)

2 [Fe(H

2O)

6]

(SO4)

2 {Mohrite} Determined at 296K and 27K. Jason Yar-

brough, Joseph Reibenspies.

Posters

24

P172 Monday, May 27Crystal Structure Analysis of an Acridine Dione. Devadasan Velmurugan, Pandamangalm Seshadri. S. Shanmuga, Sundara Raj, Hoon-Kun Fun.

PX173 Sunday, May 26Phase Changes and Non-merohedral Twinning. Neil Brooks, Victor Young.

P174 Tuesday, May 28X-Ray Crystallographic Analysis of N,N-Bis [1-Phenyl Sulfonyl Indol ˆ2-yl methyl] Amino Acetaldehyde Dimethyl Acetal. M. M. Govind, Devadasan Velmurugan, P.C. Srinivasan, S. Naras-ingarao, S. Shanmuga Sundara Raj, Hoong-Kun Fun.

P175 Sunday, May 26Calix[4]arene Lower Rim Ionic Interactions and the Formation of Intra-molecular Complexes. Eduardo E. Castellano, Oscar Piro, Angela Danil de Namor.

Crystal EngineeringPX176 Sunday, May 26Synthesis of New Building Blocks for the Formation of Open Frameworks. Eric Elisabeth, John Desper, Christer B. Aakeröy.

P177 Tuesday, May 28Structural Trends and Variations in Dinitramide Salts. James P. Ritchie, A. Alan Pinkerton.

P178 Sunday, May 26Engineering of Organometallic/Organic Host-Guest Crystals for Time Resolved Crystallography. Oksana Gerlits, Philip Coppens.

P179 Monday, May 27Helical Building Blocks for the Production of NLO Materials. David Grossie, William Feld.

PPX180 Sunday, May 26Design of Ternary Crystals. Brian Helfrich, Christer Aakeröy, Alicia Beatty, John Desper.

P181 Monday, May 27Interesting Structural Features of Two Different Barium Com-plexes of Maleic Acid Obtained in the Same Synthesis Experi-ment. Graciela Diaz de Delgado, Alexander Briceño, Teresa Gonzalez.

PP182 Sunday, May 26Applications of a Host-Guest Co-crystallization Strategy Towards the Synthesis of Novel Organic and Transition Metal Com-pounds. Alton Lam, Joseph Lauher, Frank Fowler.

P183 Tuesday, May 28Novel Polymeric Network In Coordination Complexes Involv-ing Malonate Ligand. Tian-Huey Lu, Golam Mostafa, N. Ray Chaudhuri.

PP184 Sunday, May 26Crystal Engineering: Coordination Polymers and Cocrystals Using Pyrimidine Carboxylic Acids. Brock Levin, Jesús Valdés-Martínez, John Desper, Christer Aakeröy.

P185 Monday, May 27Directed Crystal Preparation for Time-Resolved Photocrystal-lographic Studies. Bao-Qing Ma, Philip Coppens.

P186 Tuesday, May 28Calix[4]arene Derivatives - Self Association and Crystal Pack-ing. Beth Rather, Patrick Shahgaldian, Anthony Coleman, Rosa Bailey Walsh, Michael Zaworotko.

PP187 Sunday, May 26Anion Infl uence on the Self Assembly of Transition Metal Coor-dination Polymers and Metallopolygons using Pyrimidine Deriva-tives. Colin Rodger, Lee Brammer, Christopher Spilling.

PPX188 Sunday, May 26The Structure of the Nitrosyl [RuCl

3(NO)(PPh

3)(pyCN)] Complex.

Sauli Santos-Jr, Eduardo Castellano, Salete Queiroz, Alzir Batista.

P189 Monday, May 27A Hydrogen-bonded Interpenetrating Diamondoid Coordination Network with 2D Porous Channels. Huang-Chun Wu, Yen-Hsiang Liu, Kuang-Lieh Lu.

PP190 Sunday, May 26The Application of Powder Diffraction Structure Solution to Crystal Engineering. Colin Seaton, Maryjane Tremayne.

PP192 Sunday, May 26Crystal Engineering of New Porous Materials Using Versatile Multiple Hydrogen-Bond Donor Compounds. Joaquin Urbina, John Desper, Christer Aakeroy.

P193 Monday, May 27Crystal Engineering of Multidimensional Coordination Poly-mers. Rosa Bailey Walsh, Michael Zaworotko.

PP194 Sunday, May 26Crystal Engineering Using Imidazolium 2,6-Pyridinedicarbox-ylate Complexes with Transition and Lanthanide Metals. Chris Cooper, John MacDonald.

PP195 Sunday, May 26Aromatic Oximes as Hydrogen-Bonded Building Blocks in Crystal Engineering. Eric A. Bruton, Lee Brammer, F. Christopher Pigge.

Posters

25

Synchrotron RadiationP196 Tuesday, May 28Gallium Distribution in the Thermoelectric Clathrates Sr

8Ga

16Ge

30 and Sr

4Eu

4Ga

16Ge

30 -- Resonant Synchrotron Powder

Diffraction Studies. Yuegang Zhang, Cora Lind, George Nolas, Peter Lee, Angus Wilkinson.

PX197 Sunday, May 26Is the Coordination Octahedral or Square Planar in a-diaqua bis(hydrogenphthalate) Copper(II)? The Charge Density.. Ber-nardo Rodrigues, Guang Wu, Philip Coppens.

P198 Monday, May 27The Correction of Refl ection Intensities for Incomplete Absorp-tion of High Energy X-rays in the CCD Phosphor. Guang Wu, Philip Coppens.

P199 Tuesday, May 28The Intermolecular Interaction Energy from Quantum Topo-logical Analysis of the Experimental Charge Density. Xue Li, Philip Coppens.

Nanoscience and NanotechnologyP200 Monday, May 27Topological Relaxation in a Sheared Membrane Phase: Kinetics and Energetics of Handle Formation. Paul Butler, Lionel Porcar, William Hamilton, Greg Warr.

P201 Tuesday, May 28Wide and Small Angle X-Ray Scattering of Metallocene Iso-tactic Polypropylene Prepared by Partial Melting. Peggy Cebe, Patrick Dai, Nathan Gilfoy, Malcolm Capel.

P202 Monday, May 27The Fluorophilic Effect as a Guiding Principle in the Design of Conducting Donor Radical Salts. Urs Geiser, John A. Schlueter, Aravinda M. Kini, Hau H. Wang, Brian H. Ward, Michael A. Whited, Javid Mohtasham, Gary L. Gard.

P203 Tuesday, May 28Effect of Zinc (Zn2+) Ions on Self-assembly of b-amyloid(10-21) Studied by Small Angle Neutron Scattering. Jaby Jacob, David Morgan, Pappannan Thiyagarajan, David Lynn.

P204 Monday, May 27The Thermal Expansion of Some Cu Delafossite Compounds. Alexandre F. T. Yokochi, Arthur W. Sleight, Jun Li.

Posters

Structures from Powder DataP205 Monday, May 27Novel Phosphate Derived from Newberyite. Bryan Chakouma-kos, Claudia Rawn, Brian Sales.

P206 Monday, May 27Structure Transition During Growth of SrRuO

3 Thin Films by

Pulsed Laser Ablation. Sushil K. Singh, M.R. Lees, Stuart Palmer, R.K. Singh.

P207 Monday, May 27An Array for Rapid Powder Diffraction at the Advanced Photon Source. Stephen R. Wasserman, Kevin L. D’Amic.

26

Pauling Poster PrizeThe Pauling Poster Prize was established by the ACA, and is supported by member contributions, to honor Linus Pauling. Linus Pauling was one of the pioneers in American structural research and was very supportive of the ACA. At each annual meeting the five best student (graduate or undergraduate) poster presentations receive Pauling awards. Each award consists of $200, a complimentary banquet ticket, and a copy of a Linus Pauling book. Honorable mention awards for this prize are also made; they consist of a complimentary banquet ticket. Winners will be notified early Wednesday, May 29, and will be given recognition at the banquet Wednesday evening.

The 2002 Pauling Poster Prize Committee is: Joshua Sakon, Chair, Stan Cameron, Frank Fronczek, Patrick Loll, and Vivien Yee.

Awards

A. Lindo Patterson AwardThe Lindo Patterson Award is to recognize and encourage outstanding research in the structure of matter by diffraction methods, including significant contributions to the methodology of structure determination and/or innovative application of diffraction methods and/or elucidation of biological, chemical, geological or physical phenomena using new structural information. Lindo Patterson’s 1934 paper in Phys. Rev.: “A Fourier Series Method for the Determination of Components of Interatomic Distances in Crystals,” signalled a major step forward in understanding diffraction theory; the Fourier series on |F|2, or Patterson function, greatly enabled subsequent structure determination. Other research interests of Patterson included particle-size line broadening, structures of biological interest, and homometric structures, which are different atomic arrangements having the same Patterson function. His section on Fundamental Mathematics in International Tables, Vol. II was another important contribution to the community. After working for the government during the war, and then teaching at Bryn Mawr, he moved in 1949 to the Institute for Cancer Research where he worked until his untimely death in 1966. Lindo Patterson was President of ASXRED in 1949 and played an important role in the formation of the ACA in 1950. The award, established in 1980, is given in memory of A. L. Patterson every three years. It consists of an honorarium plus travel expenses to accept the award and present a lecture at the Annual ACA Meeting.

Doug Dorset2002 Patterson Award Winner

Presentation of Award and Lecture Wednesday, May 29, at 01:00 p.m.

The Oxford Cryosystems Low Temperature Poster Prize is awarded to the best poster describing work in low temperature crystallography. The winner will receive a prize of two hundred fi fty pounds sterling donated by Oxford Cryosystems, Inc. The winner will be announced at the banquet on Wednesday, May 20.

The 2002 Oxford Cryosystems Low Temperature Poster Prize Committee is: Chris Lehmann, Chair, Wayne Anderson, Suzanne Fortier, Bill Montfort, Ward Smith and Robyn Stanfi eld.

The Oxford Cryosystems Low Temperature Poster Prize

san antonio 2002 - bezirganyan · san antonio 2002 conference room rate. ... edax/tsl emerald...

Documents