[buster-discuss] High R/Rfree at 1.6A

[Gerard Bricogne]

Dear Thomas,

     I wonder whether you could send a copy of the reciprocal-space
correlation coefficient plot. You can get this most easily as part of the
output of buster-report, that we announced last December. This would already
make it possible to check whether the problem might be data-related.


     With best wishes,
     
          Gerard.

--
On Sun, Mar 11, 2012 at 05:43:06PM +0100, Thomas Krey wrote:
> Dear all,
> 
> I am currently refining a structure at 1.6 A resolution using BUSTER  
> 2.9.2 and extensive alternating TLS-refinement.
> While backbone and geometry is o.k., my R/Rfree is stuck at 19.3/20.3  
> %. I don't have much experience at this resolution, but at lower  
> resolution I know that Buster usually gets much better R/Rfree than  
> other programs. This is why I am pretty sure that I am missing some  
> important option at this resolution. I have maybe 12 residues out of  
> 250 that are disordered, but that cannot account for such high R  
> factors !?!
> I tried to add hydrogens, but that actually increased the Rfree by 2%.
> 
> Does anybody have any suggestion or advice ?
> 
> Thanks a lot in advance
> Cheers
> 
> Thomas Krey
> _______________________________________________
> buster-discuss mailing list
> buster-discuss at globalphasing.com
> https://www.globalphasing.com/mailman/listinfo/buster-discuss

-- 

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     * Gerard Bricogne                     gb10 at GlobalPhasing.com  *
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