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
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