[ccp4bb] At what resolution is (individual,group,one per residue, two per residue) appropriate? was Re: [ccp4bb] Structure Determination combining X-ray Data and NMR

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)

Re: [ccp4bb] At what resolution is (individual,group,one per residue, two per residue) appropriate? was Re: [ccp4bb] Structure Determination combining X-ray Data and NMR

On Fri, 2012-01-06 at 11:18 -0700, Francis E Reyes wrote: I've seen the following question asked: At what resolution is (individual,group,one per residue, two per residue,overall) appropriate? My personal opinion is that the individual B-factor refinement with restraints proper to the

Re: [ccp4bb] At what resolution is (individual,group,one per residue, two per residue) appropriate? was Re: [ccp4bb] Structure Determination combining X-ray Data and NMR

Francis, 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 recognize my advice along those lines above -:) Although now I would say (assuming phenix.refine): Try individual ADP refinement first, and if