: Monday, January 30, 2012 11:33 AM
To: b...@hofkristallamt.org
Cc: CCP4BB@jiscmail.ac.uk
Subject: Re: [ccp4bb] B_sol from EDS
Hi Bernhard,
I just calculated k_sol and B_sol for all PDB entries that
- have reflection data available,
- I could re-compute the R-factor within 5%, and
Hi Bernhard,
I just calculated k_sol and B_sol for all PDB entries that
- have reflection data available,
- I could re-compute the R-factor within 5%, and
- R-work<30%
using a simple cctbx script. Here is what I get:
Distribution of k_sol:
0.000 - 0.060 : 27
0.060 -
Dear All,
when I plot bulk solvent B and K extracted from EDS, an improbable and
bimodal distribution appears.
In the B_sol vs k_sol PDF a sharp line of values with B-sol of 70 appears
(B-axis left to right, 0-200).
http://www.ruppweb.org/images/b_sol_contour.jpg
http://www.ruppweb.org/images/b_
