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

[Thomas Krey]

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