15 Dec
2011
15 Dec
'11
10:34 p.m.
Hi,
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. Pavel