[phenixbb] High B-factors after Phenix restrained refinement

Da Duan 2dd13 at queensu.ca
Thu Dec 15 14:20:26 PST 2011

Hi all

I am rather new to the crystallography so please bear with me, :-).

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.

Thanks in advance for your help!

Da Duan
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