Hi, I recently solved the structure of a mutant protein that contains a single amino acid substitution.
Here are some data about the mutant: resolution: 2.65 A completeness: 99.9 % (100.0 %) Rwork/free: 22.3/27.8 % Rsym 15.6 (47.7) % avg. mosaicity: 0.48° now whats confusing me: Wilson b-factor: 30.34 A^2 Overall mean b-factor: 55.92 A^2 My questions are the following: Where could the large difference of the b-factors come from? As noted, the crystal shows a mosaicity of avg. 0.48°. Is there a way I could evaluate whether the high b-factors are completely explained by the high mosaicity? What other factors could explain the high b-factors? Does the b-factor correlate that clearly with the resolution? I used XDS for data processing and REFMAC for refinement. Does either of these programs consider the mosaicity so that i could exclude that the b-factors origin from the mosaicity? Thanks, Dominik
