Macromolecular Crystallography School 2014

“From data processing to structure refinement and beyond”

April 8th -- 16th, 2014
Instituto de Física de São Carlos, USP, São Carlos, SP, Brasil

Day 1: Data processing Tuesday 8th April

08:30--09:00 Registration
09:00--09:10 Welcome E. Horjales; R. Garratt
09:10--10:00 Data collection: considerations and compromises (L) K. Diederichs
10:00--10:15 Coffee Break
10:15--11:00 Data processing with Mosflm (L) A. Leslie
11:00--11:45 Scaling (SCALA , aimless and pointless, truncate) (L) A. Leslie
11:45--12:30 Principles of data processing with XDS (L) K. Diederichs
12:30--13:30 Lunch
13:30--14:00 Student Introduction Students
14:30--16:00 Mosflm/Scaling(T) A. Leslie; with help from other available Speakers
16:00--16:30 Coffee Break
16:30--18:00 XDS (T) K. Diederichs; with help from other available Speakers
18:00--18:45 Twinning (L) A. Thorn
18:45--20:30 Data Processing Problem Solving 1 (P) A. Leslie; K. Diederichs; others
20:30               Posters installation + Cocktail

Day 2: Data Processing & Phasing I: Introduction Wednesday 9th April

09:00--09:40 Data quality: noise, errors, and mistakes (L) K. Diederichs
09:40--10:30 Data Processing Problem Solving 2 (P) A. Leslie; K. Diederichs; others
10:30--10:45 Coffee Break
10:45--12:30 Data Processing Problem Solving 2 (P) A. Leslie; K. Diederichs; others
12:30--13:30 Lunch
13:30--14:30 Introduction to Experimental Phasing (EP) (L) R. Read
14:30--15:30 Molecular Replacement (MR) Basics (L) A. Lebedev
15:30--15:45 Coffee Break
15:45--16:30 Density Modification (L) P. Skubak
16:30--17:30 Introduction to Coot (L) P. Emsley
17:30--20:00 Posters session

Day 3: Phasing II. Basic and Automation Thursday10th April

09:00--10:00 Automation with CRANK (L) P. Skubak
10:00--10:30 Basic EP tutorial (T) P. Skubak; other available speakers
10:30--10:45 Coffee Break
10:45--12:30 Basic EP tutorial ctd. (T) P. Skubak; other available speakers
12:30--13:30 Lunch
13:30--14:15 Automation I. Balbes (L) G. Murshudov
14:15--15:00 Automation II. MrBUMP/AMPLE (L) R. Keegan
15:00--17:00 Basic MR Tutorial (T) R. Keegan; A. Lebedev
17:00--17:30 Coffee Break
17:30--20:30 EP+MR Problem Solving (P) available speakers

Day 4: Phasing III. Advanced Phasing Friday 11th April

09:00--09:45 Phaser EP and Log Likelihood Gain maps (L) R. Read
09:45--10:30 EP with SHELX(L) A. Thorn
10:30--10:45 Coffee Break
10:45--12:30 EP advanced tutorial (T) R. Read, A. Thorn; other available speakers
12:30--13:30 Lunch
13:30--14:15 Phaser MR (L) R.Read
14:15--15:00 MR with ARCIMBOLDO (L) I. Uson
15:00--16:15 Phaser MR + Molrep advanced tutorial (T) R. Read; A. Lebedev; R. Keegan
16:15--16:45 Coffee Break
16:45--19:15 MR problem solving (P) R. Read; I. Uson; A. Lebedev; R. Keegan
19:15--20:15 “Burning questions” Session E. Horjales; R. Garratt; available speakers

Day 5: Refinement & Model Building Saturday 12th April

09:00--10:00 Refinement with Refmac (L) G. Murshudov
10:00--10:45 Refinement Tutorials (T) G. Murshudov
10:45--11:00 Coffee Break
11:00--12:30 Refinement Tutorials ctd. (T) G. Murshudov
12:30--13:30 Lunch
13:30--14:30 Building with ARP/wARP (L) V. Lamzin
14:30--15:15 Building with Buccaneer (L) P. Skubak
15:15--16:15 ARP/wARP tutorial (T) V. Lamzin; others available speakers
16:15--16:45 Coffee Break
16:45--17:45 Buccaneer/Nautilus tutorial (T) P. Skubak; R. Keegan; others available speakers
17:45--20:15 Model Building and Refinement/Problem Solving (P) All available speakers

Day 6: Free Day Sunday 13th April

Free Time--(tour activity offered)

Day 7: Refinement & Model Building II Monday14th April

09:00--09:45 Advanced Model Building with Coot (L) P. Emsley
09:45--10:45 Advanced Coot Tutorial (T) P. Emsley
10:45--11:00 Coffee Break
11:00--11:45 ProSMART–generating restraints for refinement (L) R. Nichols
11:45--12:30 ProSMART tutorial (T) R. Nichols
12:30--13:30 Lunch
13:30--14:00 Jligand/Prodrg (L) A. Lebedev
14:00--14:45 Ligand building with ARP/wARP V. Lamzin
14:45--16:15 Jligand and ARP/wARP ligand building tutorials(T) A. Lebedev; G. Murshudov; R.Keegan
16:15--16:45 Coffee Break
16:45--20:30 Problem Solving (P) available speakers

Day 8: Finalising and Analysis of structural data Tuesday15th April

09:00--09:45 Coot ligands and validation (L) P. Emsley
09:45--10:00 DIMPLE (L) R. Keegan
10:00--10:15 Zanuda (L) A. Lebedev
10:15--10:45 Coffee Break
10:45--11:30 CCP4 beyond structure solution (L) E. Krissinel
11:30--12:15 Oligomers and analysis (L) E. Krissinel
12:15--13:30 Lunch.
13:30--16:00 Problem Solving (P) available speakers
16:00--16:30 Coffee Break
16:30--20:30 Problem Solving (P) available speakers
Day 9: 3D models from a user’s perspective Wednesday16th April
09:00--10:00 Model quality: concepts statistics(L) A. Buschiazzo
10:00--11:00 Structure analysis: what information can be drawn from an atomic model? (L) A. Buschiazzo
11:00--11:15 Coffee Break
11:15--12:30 “Burning questions” Session II E. Horjales; R. Garrat; available speakers
12:30--13:30 Lunch
13:30--16:30 Student’s presentations
16:30--17:00 Final conclusions filling out meeting evaluation form E. Horjales; R. Garrat

(L)=Lecture
(T)=Tutorial
(P)=Problem solving