Workshop on Time-resolved and Laue X-ray Crystallography


Friday | Saturday | Sunday | Monday

Friday, 5-May-2006
5:00 - 8:00 PM Registration  --  Argonne Guest House

Saturday, 6-May-2006

7:00 AM Registration  --  APS Bldg. 401
  Science Sessions  --  APS Bldg. 402 Auditorium
  Session 1: Methods - Introduction and Overview
8:30 AM Welcome  (K. Moffat)
8:45 AM Observing proteins at work in the crystal.  (D. Bourgeois)
9:30 AM Structure determination of reaction intermediates by trapping approaches.  (I. Schlichting)
  Session 2: Methods - Experimental Details
10:30 AM Capabilities for Laue and time-resolved experiments at BioCARS.  (R. Pahl)
11:00 AM Implementation of time-resolved experiments at the ESRF.  (F. Schotte)
11:30 AM TBA  (R. Vierstra)
12:00 Noon Lunch
  Session 3: Applications - Photoreceptors
1:00 PM Static and time domain structures of integral membrane proteins determined at the APS.  (J. Norris)
1:30 PM Early intermediates of the PYP photocycle probed by picosecond Laue x-ray crystallography.  (H. Ihee)
2:00 PM Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.  (W. Royer)
2:30 PM A new photo switch - the structural basis of the E/Z isomerization I biliproteins.  (M. Schmidt)
  Session 4: Methods - Computational Approaches
3:15 PM Protein dynamics from computer simulations and time-resolved x-ray crystallography.  (G. Hummer)
3:45 PM Potassium Channels - Ion conduction, selectivity, gating, inactivation, and blockage.  (B. Roux)
4:15 PM Cluster analysis of time-dependent crystallographic data: Identification of structural intermediates.  (K. Kostov)
4:45 PM Gas migration inside proteins - methods and mechanisms.  (J. Cohen)
5:30 PM End of Session
6:00 PM Poster Session and Reception  --  APS Bldg. 402 Gallery

Sunday, 7-May-2006

  Science Sessions  --  APS Bldg. 402 Auditorium
  Session 5: Methods & Applications - Chemical Crystallography
8:30 AM Time-resolved experiments in daily single bunch mode: Current status of beamline NW14A at the Photon Factory Advanced Ring.  (S. Adachi)
9:15 AM Photoinduced 1D exciton-string preceding macroscopic switching evidenced by 100ps diffuse scattering.  (E. Collet)
10:15 AM High resolution time-resolved diffraction.  (P. Coppens)
11:00 AM Taking molecular snapshots in photochemical reactions.  (L. Chen)
  Session 6: Methods & Applications - Enzymes and Large Molecules
11:30 AM Molecular odysseys in mapping enzyme reaction coordinates by x-ray crystallography.  (A. Mesecar)
12:00 Noon Lunch
  Session 6: Methods & Applications - (continued)
1:00 PM TBA  (C. Stauffacher)
1:30 PM Mechanism of product/substrate exchange in plant glycoside hydrolases: Conventional and Laue crystallographic approaches.  (M. Hrmova)
2:00 PM On your mark Get set : Planning time-resolved studies of protocatechuate 3,4-dioxygenase.  (D. Ohlendorf)
2:30 PM Efficient data collection for the structure determination of an icosahedral virus by Laue crystallography.  (T. Lin)
  Session 7: Methods & Applications - Spectroscopy
3:15 PM Structural and spectroscopic studies of photo-induced conformational changes in heme proteins and GFP-like proteins.  (U. Nienhaus)
4:00 PM Time-resolved studies of protein function: From infrared to x-rays.  (P. Anfinrud)
4:30 PM Dealing with photoreduction of redox enzyme intermediates during single-wavelength x-ray data collection.  (C. Wilmot)
5:15 PM End of Session
6:30 PM Reception & Dinner at The Morton Arboretum

Monday, 8-May-2006

  Science Sessions  --  APS Bldg. 402 Auditorium
  Session 8: Methods - Data Analysis
8:30 AM Introduction  (V. Srajer)
8:45 AM Laue data collection and data processing - General issues.  (Z. Ren)
9:45 AM User-friendly Singular Value Decomposition for time-resolved crystallography.  (M. Schmidt)
10:15 AM Laue data analysis with TReX.  (F. Schotte)
  Session 9: Software
11:00 AM Demonstration of the software package Precognition.  (Z. Ren)
12:00 Noon Lunch
  Hands-On Sessions  --  APS Bldg. 402, Rm. E1100
  Session 10: Hands-On Data Analysis
1:00 PM Precognition
3:15 PM LaueView
5:00 PM Discussion
  End of Workshop