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Hello, All,
I have a 3.0 A data set in space group I41 and got a solution from MolRep.
When I put it for refinement in refmac under " restrained refinment "
patten, I get 28.7% and 35.5% for R and Rfree, respectively. The B-factor is
only 18.78, unusally low compared to 45.0 ,which is for 2.3 A data from its
mutant. I assume a similar B factor between them since there is one amino
acid residue difference out of 500 residues in total. Am I wrong about it?
The worse is refinement only gets Rfactor drop a little and Rfree increase
the same amount.B factor keeps getting lower and lower. fixing B-factor
within the range of 20 -200 doesn't do much good.
The Rmerge in highest resolution shell is kind of high, as 60% while other
factors seem all decent. I though it was fine. But now the low B factor and
high Rfree make me think maybe I should have data reprocessed for a lower
Rmerge. I played with weighting term( 0.05-0.20) and doesn't change things
much.Does anyone have the same experience and please comment on it. Any
imput is appreciated.
Regards
Fang Sheng
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