[phenixbb] SA omit map
pascal at msg.ucsf.edu
Thu Sep 10 18:39:06 PDT 2009
Dear All,I have a theoretical/practical question about omit maps and
I am completing the refinement (in Phenix) of a protein-ligand complex at
1.3A resolution. I solved it by MR and automatic rebuilding of the protein
alone first then built in the ligand. Rfree and Rfac are 19.4%/18.2% after
TLS and water-picking in Phenix. The model includes everything protein,
water, ligand and some ions.
However I have some slight doubts one region in my ligand.
What would be the best map, less biased, to look at this "very late" stage
of the refinement. Are composite or systematic SA omit map useful options
at this stage ?
Thanks a lot in advance
Pascal F. Egea, PhD
UCLA, David Geffen School of Medicine
Department of Biological Chemistry
314 Biomedical Sciences Research Building
email pegea at mednet.ucla.edu
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