[phenixbb] High B-factors after Phenix restrained refinement

Pavel Afonine 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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