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

Thomas Krey tkrey at pasteur.fr
Sun Mar 11 17:43:06 CET 2012

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

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