Assessing quality of high-res refinement?

Flip Hoedemaeker fhoedem at oci.utoronto.ca
Wed Jan 7 16:53:04 EST 1998


On Wed, 7 Jan 1998, Darren Nickerson wrote:

> 
> Greetings,
> 
> I am looking for pointers towards accepted practice in assessing the
> quality of models refined against high-resolution (1.35A) data, in
> particular using SHELX97. Has concensus yet emerged from within the
> high-res enthusiasts as to what constitutes an 'acceptable' distribution
> of omega angles, for instance?
> 
> Thanks in advance for any info, by e-mail or in this group.
> 

Procheck, which is part of CCP4, will assess the quality of your model as 
a function of resolution. Ramachandran plot, peptide bond planarity, bad 
contacts, tetrahedral distortion and hydrogen bond energies will be 
plotted against an accepted bandwidth ranging from 1.0 to 4.0 Ang resolution.


Hope this helps. 

Flip

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