On Friday 17 October 2008, Carl Soja wrote:
> Hi All,
>
> I just refined a structure at 2.95A and getting a good R-work and
> R-free(0.236 and 0.274). When I checked the PDB, I found many residues have
> high temperature factor over 100. How can I use Phenix or CNS fix those high
> temperature factor for further refinment?
By "fix", do you mean "correct" or do you mean "not refine"?
The high average value is quite possibly correct already,
but it is true that you should probably not be refining individual
B factors at that resolution.
--
Ethan A Merritt
Biomolecular Structure Center
University of Washington, Seattle 98195-7742
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