[phenixbb] difference in estimated error between phenix and refmac

Ling Qin qinling2060 at gmail.com
Thu Aug 12 10:04:28 PDT 2010

Dear Colleagues,

I am refining a 2.15 A structure that was previously refined with refmac by
someone else. Without changing anything in the refmac-refined model and
using all the default phenix.refine settings, I am getting pretty much the
same R and Rfree (from 19.3%/21.7% to 18.9%/21.8%), with an ML estimated
error of 0.22 A. In the refmac-refined pdb file, the estimated error is much
lower: 0.16 (based on R), 0.144 (based on Rfree), and 0.096 (based on ML). I
am using phenix.refine version 1.6_289, but also tried 1.5_2 with the same
result. Is there an underlying reason for this difference? Thank you very
much for your insightful opinions in advance.


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