[phenixbb] High B-factors after Phenix restrained refinement
pafonine at lbl.gov
Thu Dec 15 14:34:48 PST 2011
> I used Phenix AutoMR to solved a structure to 3.3A and after 1 round
> of rigidbody refinement with Phenix Refine I proceeded to restrained
> refinement. The R/Rfree from the refinement decreased nicely as
> expected but the B average is at ~100 (using Group B factor refinement
> option). I took the same model and mtz through Refmac and the B
> average is about ~40. Has anyone experienced this before? I am almost
> positive it maybe a setting issue in Phenix Refine that i should be
> looking at to get the B factors to refine correctly.
do restrained individual ADP (B-factor) refinement. With the type of
restraints that phenix.refine is using it is totally ok at 3.3A resolution.
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