Re: [ccp4bb] normalization of B-factor values from different crystal structures

[Asmita Gupta]

Hi,

Thanks for the response! 

What I have are crystal structures of the same protein in multiple 
conformations, solved by different groups. I wanted to calculate the 
residue-wise B-factors for each of these structures and compare how the values 
are changing for corresponding residues in these different structures. e.g. 
B-factor variation in residue number 200 (Ala) in 10 different conformations of 
a protein. 

Hope I have been able to answer the question!

[ccp4bb] normalization of B-factor values from different crystal structures

[Asmita]

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.

Thanks

Asmita