[phenixbb] SA omit map

Pascal Egea 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
Assistant Professor
UCLA, David Geffen School of Medicine
Department of Biological Chemistry
314 Biomedical Sciences Research Building
office (310)-825-1013
lab (310)-825-8722
email pegea at mednet.ucla.edu
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