Index of /cvmfsmonitor/repository/facilities.gridpp.ac.uk/ccp4/release-7.0-updated/ccp4-7.0/share/ccp4i2/demo_data/gamma

	Name	Last modified	Size	Description
	Parent Directory		-
	GammaXeSAD.docx	2018-04-05 16:35	656K
	GammaXeSAD.pdf	2018-04-05 16:35	424K
	INFO.txt	2018-04-05 16:35	113
	freeR.mtz	2018-04-05 16:35	193K
	gamma.pir	2018-04-05 16:35	148
	gamma_Xe_mosflm.mtz	2018-04-05 16:35	7.8M
	gamma_model.pdb	2018-04-05 16:35	78K
	gamma_native.mtz	2018-04-05 16:35	5.6M
	initial_phases.mtz	2018-04-05 16:35	345K
	merged_intensities_X..>	2018-04-05 16:35	338K

CCP4i2 demo data: gamma (PDB:1GYU)

This structure can be solved quickly by either experimental phasing or molecular replacement and is a good one to try as an introduction to CCP4.

This can be solved by Molecular Replacement on the Xe or native data using the file gamma_model.pdb (this solved structure, 1 molecule in the asu), or 2ymt.pdb (the human homologue, 45% identical), or by experimental SAD phasing from the Xe data (3 Xe sites, + maybe 3 possible sulphurs)

Data files

• GammaXeSAD.pdfBrief introduction to a tutorial for solving Gamma by SAD.
• gamma.pir sequence.
• gamma_Xe_mosflm.mtz are the unmerged data from Mosflm for the Xe derivative, which can go through the Data Reduction pipeline.
• gamma_native.mtz are the unmerged native data from Mosflm, which can go through the Data Reduction pipeline.
• merged_intensities_Xe.mtz for use in SAD or SIRAS phasing from Xe
• initial_phases.mtz provided to enable running downstream programs without running data reduction and phasing.
• freeR.mtz Free R flags.
• gamma_model.pdb  1gyu identical model (mouse) without solvent for MR or comparison
• 2ymt.pdb  2ymt model, 45% identical (human) from the PDB for MR. Note that this model contains a peptide (chain B) and water which should be removed eg using the Interactive Model Preparation task
  

This is the data for 1gyu kindly donated by Phil Evans.