[buster-discuss] High R/Rfree at 1.6A
gb10 at globalphasing.com
Sun Mar 11 18:28:56 CET 2012
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,
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
> Thomas Krey
> buster-discuss mailing list
> buster-discuss at globalphasing.com
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