Pete brings out two concerns: [1] B-factor refinement being stable, [2] over-fitting at low resolutions. Here I'll suggest low resolution to be in the 3-4A range.
I've seen the following question asked: At what resolution is (individual,group,one per residue, two per residue,overall) appropriate? One common response is "try a number of different B-factor refinement protocols, use Rfree as a guide to determine which one is appropriate". I guess this is along the lines of "B-factor refinement being stable". Seems reasonable to me. However is this approach sufficient justification to address "over-fitting at low resolution"? I'd welcome any thoughts on this ... F On Jan 6, 2012, at 11:00 AM, Pete Meyer wrote: >> > > B-factor refinement being stable is one thing; quieting my paranoia regarding > over-fitting at low resolutions is another. > > Thanks for pointing this out to me - I'll have to check out the details of > how phenix handles it, and give it a try. > > Pete --------------------------------------------- Francis E. Reyes M.Sc. 215 UCB University of Colorado at Boulder
