On Wednesday, 02 August, 2017 12:09:35 Asmita wrote:
> Hi,
>
> This might look as a very fundamental question. I have a dataset of crystal
> structures better than 3.5Ang resolution. For a qualitative analysis, I
> want to compare the residue-wise B-factors in these structures, but due to
> different procedures adopted in refinement and scaling, I understand that
> these values cannot be compared in a raw manner.
>
> Can someone suggest appropriate normalization methods that could be used
> for scaling these B-factors for a relevant and meaningful comparison? All
> the files have isotropic B-factor values and there are no ANISOU entries in
> any of the files.
I may have an answer, but I first I need a better handle on the question.
Can you take a step back and explain what question or hypothesis you
would like to address by making the comparison?
Do you want to compare B factors for different residues in the same structure,
or B factors for the same residue in different structures,
or something else entirely?
Ethan
--
Ethan A Merritt
Biomolecular Structure Center, K-428 Health Sciences Bldg
MS 357742, University of Washington, Seattle 98195-7742
