Collaborative Computational Project No. 4
Software for Macromolecular X-Ray Crystallography

CCP4 school: From data collection to structure refinement and beyond

...Link to the 2009 program....

Invited Speakers

The following speakers will be present at the school:

-
P. Adams   Phenix  Lawrence Berkeley Laboratory, California, USA
P. Afonine   Phenix  Lawrence Berkeley Laboratory, California, USA
D. Borek   HKL2000/HKL3000  Southwestern Medical Center, Dallas, USA
G. Bunkoczi   Phaser  Cambridge Institute for Medical Research, University of Cambridge, UK
Z. Dauter   Data collection strategies, Twinning  Argonne National Laboratory, Chicago, USA
K. Diederichs   XDS  Universitat Konstanz, Germany
T. Gruene   Shelx  Georg-August-Universitat, Gottingen, Germany
R. Keegan   MrBUMP, CCP4 Group  STFC Rutherford Appleton Laboratory, UK
E. Krissinel   PISA  European Bioinformatics Institute, Cambridge, UK
G. Langer   ARP/wARP  European Molecular Biology Laboratory, Hamburg, Germany
A. Lebedev   JLigand  York Structural Biology Laboratory, York University, UK
A. Leslie   Mosflm, iMosflm  MRC-LMB, Cambridge, UK
B. Lohkamp   Coot  YSBL, York University, UK & Karolinska Institute, Sweden
E. Merritt   TLS Refinement  University of Washington, USA
G. Murshudov   Refmac, BALBES  York Structural Biology Laboratory, York University, UK
R. Pannu   Crank, BP3  Leiden Institute of Chemistry, The Netherlands
I. Sikharulidze   Crank, BP3  Leiden Institute of Chemistry, The Netherlands
T. Terwilliger   Phenix  Los Alamos National Laboratory, USA

Local Speakers

Program

Basic Daily Schedule

Morning Breakfast
Lectures on theoretical background of software package(s)
Afternoon Lunch
Tutorials on software package(s) discussed in the morning
Evening Dinner
Problem solving sessions

Exceptions:

Detailed Program - Provisional

Below is the detailed program for the workshop. Please check back for updates. There may be minor updates to the program before the workshop takes place but there will be no major departures from this plan.

A printable version (pdf format) of the program is available from here.

24 June 2009 Beamline orientation and data collection strategies

June 10 (Day 1) - Beamline orientation and data collection strategies

 

Registration throughout the day, Sheila Trznadel

 

12:00 Lunch with welcome (B. Fischetti) and introduction (N. Sanishvili). Bld. 401, room A1100

1:00 All about data (Data collection theory) Z. Dauter. Bld. 401, room A1100

2:00 Overview of Blu-Ice M. Hilgart. Bld. 401, room A1100

3:00 Coffee. Bld. 401, room A1100

3:30 Sector orientation (M. Becker) and beamline tour (B. Fischetti and/or D. Yoder). Sector 23

4:30 -7:00 Hands-on training on beamline controls and data collection software. V. Nagarajan, C. Ogata, N. Sanishvili. Beamline 23ID-B

7:00 Dinner combined with data collection planning for next day. Short discussion of each project. N. Sanishvili with all students  Conference room in building 436

8:00 Q/A session. Finish hands-on training, prepare samples for next day

 

 

June 11 (Day 2) - Data collection and processing

Beamlines 23ID-B and 23ID-D

Note: On June 11 all meals will be served in building 436 conference room

 

8:30 Breakfast with overview of detailed schedule and logistics of data collection

9:30 Data collection and real-time processing - GM/CA staff, D. Borek, K. Diederichs, A. Leslie

12:00 Working lunch with continued data collection and processing (Q/A session). All participants

1:00 Data collection and real-time processing - GM/CA staff, D. Borek, K. Diederichs, A. Leslie

4:30 Coffee

5:00 Data collection and real-time processing - GM/CA staff, D. Borek, K. Diederichs, A. LeslieAPS

6:00 Dinner

7:30 Data collection and real-time processing - GM/CA staff, D. Borek, K. Diederichs, A. Leslie

 

June 12 (Day 3) - Data Processing

APS Building 402, Rooms E1100 and E1200

Note: All meals on and after June 12 will be served in the Gallery downstairs from rooms E1100 and E1200

 

Registration throughout the day, Sheila Trznadel

 

8:30 Breakfast APS Gallery

9:00 Data processing lectures, MOSFLM and Scala - A. Leslie

10:00 Data processing lectures, XDS - K. Diederichs

11:00 Coffee APS Gallery

11:20 Data processing lectures HKL - D. Borek

12:20 Lunch APS Gallery

1:20 Twinning Z. Dauter

2:00 Data processing tutorials - All participants

3:00 Coffee APS Gallery

3:20 Tutorials and problem solving in data integration and reduction - All participants
6:00 Dinner APS Gallery

7:00-10:00 Tutorials and problem solving: Data integration and reduction - All participants. Overview of the problems encountered.

June 13 (Day 4) - Experimental Phasing and Model Building

APS Building 402, Rooms E1100 and E1200

 

8:30 Breakfast APS Gallery

9:00 ShelxC/D/E T. Gruene

9:40 Phaser G. Bunkozci

10:20 Coffee APS Gallery

10:40 Crank/BP3 I. Sikharulidze

11:20 Phenix P. Adams

12:00 Lunch APS Gallery

1:00 Coot: An introduction B. Lohkamp

1:40 Tutorial: All tutorials and problem solving - All participants

3:00 Coffee APS Gallery

3:20 Tutorials and problem solving continued - All participants

6:00 Dinner APS Gallery

7:00-10:00 Hands-on problem solving

 

June 14 (Day 5) - Molecular Replacement and Autobuilding

APS Building 402, Rooms E1100 and E1200

 

8:30 Breakfast APS Gallery

9:00 Phaser MR - G. Bunkozci

9:40 MrBUMP R. Keegan

10:20 Coffee APS Gallery

10:40 BALBES G. Murshudov

11:20 Pirate/Bucanneer R. Pannu

12:00 Phenix P. Afonine

12:30 Lunch APS Gallery

1:30-2:10 Automation in Phenix T. Terwilliger

Afternoon and evening free time and social trip to Chicago

 

June 15 (Day 6) - Refinement and Autobuilding
APS Building 402, Rooms E1100 and E1200

 

8:30 Breakfast

9:00 ARP/warp G.Langer

9:40 Refmac G. Murshudov

10:20 - Coffee APS Gallery

10:40 Twinning and other pathologies A. Lebedev

11:20 PISA Interfaces, Surfaces and Assemblies E. Krissinel

12:20 Lunch APS Gallery

1:20 Tutorial: All tutorials and problem solving
3:00 Coffee APS Gallery

3:20 Tutorials and Problem solving continued

6:00 Dinner APS Gallery

7:00-10:00 Hands-on Problem solving

 

 

June 16 (Day 7) - Refinement and problem solving

APS Building 402, Rooms E1100 and E1200

 

8:30 Breakfast APS Gallery

9:00 TLS and all that E. Merrit

9:40 Ligands and ligand dictionary G. Murshudov

10:20 Coffee APS Gallery

10:40 ARP/warp ligand building G.Langer

11:20 Coot ligand building B. Lokhamp

12:00 Lunch APS Gallery

1:00 Tutorial: All tutorials and problem solving - All participants
3:00 Coffee APS Gallery

3:20 Overview of problems covered.

6:00 Dinner APS Gallery

7:00 Problems overview continued. Feedback and departure

 

June 17 (Day 8) - Departure

 

7:30 Breakfast at the Guest House

9:00 Departure