Crystallography Workshop

NE-CAT is pleased to offer our Practical Crystallography Course June 21-23, 2023 at Harvard Medical School in Boston, Massachusetts.  The course will be a three day workshop hosted in conjuction with SBGrid.  We are currently planning for three full days with a break for lunch and potentially an afternoon before the start of the workshop to make sure that computers are properly setup.  Lunch and coffee breaks will be provided.  The workshop remains free, but students are responsible for their own lodging and transportation.  All students will need access to SBGrid during the workshop in order to participate.  Temporary access to SBGrid can be provided.  The workshop is limited to 20 participants.  Priority will be given to those with data and/or problematic datasets but curated datasets (provided by Dr. Katherine Hicks and Dr. Titus Boggon) are also available for practice.  Preliminary Agenda below.
  • Day 1
  • Data Processing with XDS – Integration
  • Data Processing with POINTLESS, AIMLESS, CAD, TRUNCATE, FREERFLAG - Spacegroups, Scaling, MTZ files
  • Data Analysis, (Molrep, xtriage, matthews) - Non-Crystallographic Symmetry, Pseudo-translation, Twinning
  • Day 2
  • De Novo Phasing using ShelxC/D/E with HKL2MAP
  • AutoSol
  • Making a MR model with AlphaFold2
  • Molecular Replacement using PHASER
  • Day 3
  • Is my structure solved? FOM, LLG, RFZ/TFZ, CCall/CCweak
  • Model Building and Refinement (using Coot and phenix.refine)
  • Publishing, data collection statistic table (phenix.table1) including what is acceptable for publication, PYMOL
Kay Perry, Steve Harrison, Piotr Sliz
June 21-23, 2023
250 Longwood Ave
Seeley G. Mudd Building, Room 106
Boston, MA 02115
Newer Laptop with updated web browser (4GB+ RAM reccommended, any operating system: MacOS, Linux, ChromeOS, Windows)
Application (Participants will be notified in mid-May of acceptance.)