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Development and Directions of Powder Diffraction on Proteins

ESRF, Grenoble

22-23 June, 2007
CNRS Amphitheatre on 22 June
ESRF on 23 June



FRIDAY June 22nd, 2007
Venue: CNRS Amphitheatre
08:30-09:00 Registration
09:00-09:15 Welcome by Sine Larsen, Research Director, ESRF

Session 1
What can powder diffraction do for proteins ?
Chairs: William I.F. David (Rutherford Appleton Laboratory, ISIS, UK), Marc Schiltz (EPFL, Lausanne, Switzerland)

09:15-10:00 The Beginning of Protein Polycrystallography Robert B. Von Dreele
APS, Argonne, USA
10:00-10:30 Molecular envelopes from protein powder diffraction data Céline Besnard
EPFL, Lausanne, Switzerland
10:30-11:00 Coffee break
11:00-11:30 Protein polycrystallography and laboratory diffractometer data Stjepan Prugovečki
PANalytical, The Netherlands
11:30-12:00 Towards protein structure solution de novo from powder MAD data John R. Helliwell
University of Manchester, UK
12:00-13:30 Lunch at the CNRS H2 restaurant

Session 2
Adapting experimentally to proteins
Chairs: Philipp Pattison (SNBL-ESRF, Grenoble & EPFL, Lausanne, Switzerland),
Richard Kahn
(IBS - LBM, Grenoble, France)

13:45-14:15 High resolution X-ray powder diffraction study of macromolecular crystals with a large Guinier-type camera at SPring-8 Keiko Miura
SPring-8/JASRI, Japan
14:15-14:45 Getting integrated intensities out of powder diagrams Jonathan Wright
ESRF, Grenoble, France
14:45-15:15 On the Optimum Optical Setup for Measuring Proteins on a Laboratory Powder X-Ray Diffractometer Detlef Beckers
PANalytical, The Netherlands
15:15-15:45 Experimental Phasing with Powder Data Irene Margiolaki
ESRF, Grenoble, France
15:45-16:15 Coffee break

Session 3
Interpreting powder data
Chairs: Andy Fitch (ESRF, Grenoble), John R. Helliwell (Univ. of Manchester, UK)

16:15-16:45 First Application of EXPO2007 to Proteins Carmelo Giacovazzo
Institute of Crystallography, Bari, Italy
16:45-17:15 Charge-flipping structure solution from powder diffraction data: the protein perspective Bernd Hinrichsen
BRUKER AXS GmbH, Karlsruhe, Germany
17:15-17:45 High-throughput PXRD data analysis Thomas Degen
PANalytical, The Netherlands
19:45 Bus departure from the ESRF Guesthouse to the restaurant in Grenoble
20:00 Workshop dinner at the Restaurant "La Panse"
SATURDAY June 23rd, 2007
Venue: ESRF Auditorium

Session 4
The world of protein crystallography
Chairs: Garib Murshudov (The University of York), Nicholas M. Glykos (Democritus Univ. of Thrace, Greece)

09:00-09:30 Using lanthanide complexes for solving macromolecular structures Richard Kahn
IBS - LBM, Grenoble, France
09:30-10:00 Structural studies of proteins from the type III secretion system, a bacterial device for the combat with eukaryotic host cells Michael Kokkinidis
University of Crete, Greece
10:00-10:30 The second SH3 domain of ponsin solved from powder diffraction Nikos Pinotsis
EMBL Hamburg, Germany
10:30-11:00 Coffee break and Poster session
11:00-11:30 Characterisation of insulin microcrystals in pharmaceutical formulations Mathias Norrman
Novo Nordisk, Denmark
11:30-12:00 Coordination of selected metal ions in insulin Biserka Prugovečki
University of Zagreb, Croatia
12:00-12:30 Aperitif offered by PANalytical
12:30-14:00 Lunch at the ESRF restaurant

Session 5
Advancing methods for powder data analysis
Chairs: Robert B. Von Dreele (APS, Argonne, USA), Carmelo Giacovazzo (Institute of Crystallography, Bari, Italy)

14:00-14:30 Maximum likelihood applied to powder diffraction data William I.F. David
Rutherford Appleton Laboratory, ISIS, UK
14:30-15:00 Likelihood Methods With Protein Powder Diffraction Data Anders Markvardsen
ISIS Facility, UK
15:00-15:30 Reusing phenix-refine for powder data ? Ralf Grosse-Kunstleve
Lawrence Berkeley Laboratory, Berkeley, USA
15:30-16:00 Combining isomorphous-replacement with the direct-methods origin-free modulus sum function in powder diffraction Jordi Rius Palleiro
Materials Science Institute of Barcelona (CSIC), Spain
16:00-16:45 Coffee break and Poster session

Session 6
Transferable methods from single crystals
Chairs: Jordi Rius Palleiros (University of Barcelona, Spain), Jonathan Wright (ESRF, Grenoble, France)

16:45-17:15 Stochastic molecular replacement with powder diffraction data Nicholas M. Glykos
University of Thrace, Greece
17:15-17:45 Maximum likelihood refinement of Macromolecular structures against data from twinned crystals Garib Murshudov
The University of York, UK
17:45-18:15 Whither protein crytallography ? Marc Schiltz
EPFL, Lausanne, Switzerland
18:15-19:45 Discussion directed by Robert B. Von Dreele
APS, Argonne, USA