23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 1 N6: A Protein Crystallographic Toolbox: The CCP4 Software Suite and PDB Deposition Tools IUCr.

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23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 1 N6: A Protein Crystallographic Toolbox: The CCP4 Software Suite and PDB Deposition Tools IUCr 2005 Florence Italy August 23rd

23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 2 About this workshop … The objective of this one-day workshop is not to teach crystallography but to teach people how to use some of the programs distributed with the CCP4 package to do protein crystallography, and how to get the best from the PDB when they deposit their structures. Thanks to … Maeri Howard & Judy Flippen-Anderson (co-organisers) The IUCr (Annalisa Guerri) CCP4 and RCSB PDB

23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 3 About CCP4 … CCP4 is the Collaborative Computational Project no.4 UK-based initiative Provides software for Macromolecular X-ray Crystallography Educational remit to promote “good practice” Core funding from BBSRC Addition income from industrial receipts Core staff based at CCLRC Daresbury Laboratory in UK Maintain, develop and release core software Make releases of the software suite Coordinate other activities including: Annual study weekend Newsletters Maintain website, bulletin board, problems pages Conferences, workshops (like this one!)

23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 4 CCP4 funds other staff working on CCP4-related projects and programs across the UK Software is also provided by developers not funded by CCP4 CCP4-related software developments CCP4 Molecular Graphics (CCP4mg) Refmac5 Mosflm Phaser Other projects CCP4 Automation effort Involvement in various European projects: e-HTPX, SPINE, BIOXHIT, PIMS …

23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 5 Some general CCP4 resources … CCP4 website Links to lots of useful information (downloads, documentation…) Bulletin Board ccp4bb lively forum for discussing all aspects of protein crystallography “Sorry for the non-CCP4 related query…” To (un)subscribe: Newsletters “Journal style” newsletters Current and past issues:

23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 6 The Protein Data Bank is the single worldwide repository for the processing and distribution of 3-D biological macromolecular structure data. The RCSB PDB’s mission is provide the most accurate, well- annotated data in the most timely and efficient way possible to facilitate new discoveries and advances in science. As of July 13, 2004, there are more than 26,000 structures available in the archive.

Growth in Number of Structures Available in the PDB

23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 8 Exhibit Booths CCP4 is at stand #??? Meet CCP4 staff and developers Software demos, questions, manuals wwPDB is at ??? Insert your text here

23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 9 Workshop Timetable 8:30amIntroduction and Welcome Morning session: General 8:45An Introduction to the CCP4 Package: Utilities, Tricks and TipsPeter Briggs 9:30Overview of using CCP4 for PXMartin Noble 10:30Coffee 11:00Data Processing and Reduction using MOSFLM & SCALAGwyndaf Evans 12:30Lunch Afternoon session 13:30TLS Refinement with REFMAC5Martyn Winn 14:30CCP4 Molecular Graphics: Pictures & Movies With CCP4MGLiz Potterton 15:00Coffee 15:30Coot And Graphical Model Building ToolsPaul Emsley 16:00Data Deposition And Validation Using RCSB PDB ToolsKyle Burkhardt Summing Up 16:45 Summary, or: "if you don't remember anything else from today, remember this..." Questions and Answers 17:00 Close

23 rd August 2005CCP4 Workshop IUCr 2005 Florence Italy 10 Practical points … Coffee breaks at 10:30am and 3:00pm Lunch not provided But there are places to eat nearby Packs contain copies of all the talks Copies are be available Please let me know if there missing documents/other problems There are also questionnaires in the packs – please give us feedback! Speakers Please please please stick to time Gather for photo at morning coffee