[phenixbb] Refinement Problem

Kelly Daughtry kddaught at bu.edu
Wed Jan 12 14:15:40 PST 2011

Hello Chris,
The standard question here is: Are you certain of your space group? That
seems to be the main culprit behind R factors that wont decrease.
Can you provide some statistics showing your confidence in your space group?

Kelly Daughtry

Kelly Daughtry, Ph.D.
Post-Doctoral Fellow, Raetz Lab
Biochemistry Department
Duke University
Alex H. Sands, Jr. Building
303 Research Drive
RM 250
Durham, NC 27710
P: 919-684-5178

On Wed, Jan 12, 2011 at 5:12 PM, Christopher W Davies <cdavies at purdue.edu>wrote:

> I am having an issue with refining my structure.  I have a 2.36 A
> resolution dataset.  I have found a solution by molecular replacement in the
> space group P3221.  I have been refining the structure, however, my
> Rfactor/Rfree are not decreasing even though I have good density.  My
> current Rfactor/Rfree values are .40/.43.  Can anyone help me?
> Thanks.
> Chris
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