[phenixbb] B-factor discrepancy

Ed Pozharski epozh001 at umaryland.edu
Mon Mar 14 11:08:18 PDT 2011

On Mon, 2011-03-14 at 13:13 -0400, Yuri wrote:
> Has anyone any idea if this is perfectly fine and its simply something
> intrinsic to my crystals?
> Also at this resolution, should I try to refine any residues at all
> anisotropically? 

It's fine.  Check if you see the same tendency in the Wilson B-factors -
it's entirely possible for a wild-type and mutant to differ that much in
overall B-factor (there could be many reasons for increased disorder).

At this resolution anisotropic B-factors for protein atoms are probably
ill-advised.  If you have heavier atoms (e.g. metal ions), then it may
be OK to treat them anisotropically.  Ultimately, the decision is made
based on what happens to electron density and/or R-values.

"I'd jump in myself, if I weren't so good at whistling."
                               Julian, King of Lemurs

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