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Hi Alexei, at this resolution you most likely need to refine isotropic group B (one B per residue or so) or/and do TLS refinement (on top of it). Cheers, Pavel. --- Pavel V. Afonine, Ph.D. Lawrence Berkeley National Lab, Berkeley CA, USA (http://www.lbl.gov/) CCI: Computational Crystallography Initiative (http://cci.lbl.gov/) PHENIX (http://phenix-online.org/) On 3/26/2008 10:49 AM, Alexei Datsuk wrote: > Hi, > > I have a question with B-factor and TLS refinement. My protein > diffracts only to modest/low resolutions (3.4 A). I've been refining > isotropic B-factors for main chain and side chain (not individual > atoms) because I'm worried at this resolution I don't have enough > observations to justify individual B-factor refinement. > > First question: Is this a good assumption on my part, or should I try > refining individual B-factors and look at how R/Rfree behaves? I just > don't want to be over-refining my structure. > > Second question: Can I do TLS refinement at low resolution when > B-factors are only refined for main chain and side chain? I would > imagine that I need to be refining individual B-factors. > > Third question: Is it justified for me to be doing TLS refinement at > these resolutions? > > Thanks > > Alexei