[phenixbb] sfcheck & Phenix

Paul Adams PDAdams at lbl.gov
Mon Sep 22 21:12:42 PDT 2008

Hi John,

   my understanding is that SFCHECK does not reproduce the TLS or bulk  
solvent scaling. Depending on your structure this can be a huge effect  
on the R-factors.


On Sep 22, 2008, at 8:35 PM, john kryst wrote:

> Hi all,
>           I have a little problem... R and R-free  from  
> phenix.refine are  22.9 and 30.6 respectively.... when i validated  
> in the rcsb server... sfcheck gave me a R and Rfree of 30.8 and  
> 37.8. I am aware that sfcheck never reproduces the result. but i am  
> worried that the difference is quite large... indeed i have used TLS  
> NCS and bulk solvent correction...
> Did i do anything wrong... please help me
> Thanks for your help
> regards
> John
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Paul Adams
Deputy Division Director, Physical Biosciences Division, Lawrence  
Berkeley Lab
Adjunct Professor, Department of Bioengineering, U.C. Berkeley
Vice President for Technology, the Joint BioEnergy Institute
Head, Berkeley Center for Structural Biology

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