Well I am not answering your question. What is the (Wilson) B-factor of
the diffraction data ? I would personally compare the average isotropic
temperature factor of the model to that of the diffraction data.
And further the aim of refinement is not to reduce the B-factor. The aim
of refinement is to provide a model that agrees with all data available.
There are structures around with very high temperature factors (both for
the diffraction data set and for the model). There is nothing wrong with
that.
Fred.
On 24/01/13 11:12, rajesh harijan wrote:
Dear All,
I am working on a perfectly twinned data in space group P31.
when I refine this data with phenix refine the R/Rfree is 26.6/29.4
and average B-factor is 38.
I did one test now.....
I used phenix refined pdb and refine with refmac5 and got R/Rfree of
26.2/29.7 and average B-factor is 64.
Now I used refmac5 refined pdb and refined with phenix again. Now
R/Rfree is 22.1/24.8 and average B-factor is 56.
My question is, why B-factor gone up now and R/Rfree reduced. In which
refined model should I believe in. If last refined model is true then
how should I reduce the B-factor?
Thank you
Rajesh
--
---xxxxx----
With regards
Rajesh K. Harijan
Phd Researcher
Department of Biochemistry,
University of Oulu,
Oulu, Finland- 90014
Off Phone: +358 85531174
Mob: +358 400408258
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
