Overall anisotropic B-ref

Mark Banfield M.Banfield at bris.ac.uk
Tue Jul 7 03:44:59 EST 1998


Hi Savvas,

My 2 cents worth on this would be that if you have good data down to 20
angs., which I guess yours is if it's from a synchrotron (assuming no
overloads - if image plate data), then you should be using it all for
refinement anyway....... 

I would think this would be even more important, if not essential, when
using an overall scaling procedure.

Mark


ps- Does anyone think that the CNS example scripts should come with say,
a 20-15 angs. low resolution cut-off, rather than 8 or 5 angs. as for
XPLOR?? I guess this may have been thought of already...... 


Savvas N. Savvides wrote:
> 
> Dear XPLORERS,
>         I am in the following situation:
> I have a synchrotron data set (20-2.2 angs) that I would like to scale
> using the overall anisotropic B-factor ref. protocol. I have discovered
> the anisotropy in the data after having carried out several
> rounds of refinement for which I have been using 8-2.2 angs data.
> My question is the following:
> What resolution data should I use in the scaling procedure? Should I
> use all the data or just the data I have been using for refinement?
> 
> I would really appreciate any thoughts on this.
> 
> Sincerely
> 
> Savvas Savvides
> 
> *************************************************************************
> * Savvas N. Savvides             Email: sns2 at cornell.edu                *
> * Program in Biophysics          Tel:(607)-255-8432                     *
> * Cornell University             Fax:(607)-255-2428                     *
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> * USA                                                                   *
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-- 
##
##"In reciprocal space, noone can hear you scream......"
##
## Dr. Mark Banfield
## Dept. of Biochemistry
## University of Bristol
## University Walk
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## BS8 1TD
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