[phenixbb] Rwork > Rfree

George Phillips georgep at rice.edu
Thu Nov 20 07:28:14 PST 2014

I suggest that whoever did the refinement does not yet understand Rfree nor how to keep it free.  This can happen if an Rfree set is chosen after the structure or an essentially identical structure is solved.
For instance, choosing a different Rfree set for a liganded structure or a simple mutant that has already been refined using those spots in Rwork.


> On Nov 20, 2014, at 8:52 AM, Singh, Bishal <b.singh at dkfz-heidelberg.de> wrote:
> Hello everybody,
> While depositing a structure in PDB, I observed that Rwork was more than Rfree in the highest resolution shell and in a few more shells as well. I shall be delighted if somebody can suggest me the reasons and also what should I do now. 
> With regards,
> Bishal
> PhD student,
> DKFZ, University of Heidelberg, Germany
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George N. Phillips, Jr.
Ralph and Dorothy Looney Professor
BioSciences at Rice
Rice University, MS140
6100 Main Street
Houston, Texas  77005-1892
Office: +1 713.348.6951

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