[phenixbb] sfcheck & Phenix

[Pavel Afonine]

Hi John,

I completely agree with Paul. Just to add that this difference could 
also be large if you are refining against neutron data.

Pavel.


On 9/22/2008 9:12 PM, Paul Adams wrote:
> 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.
>
>    Cheers,
> 	Paul
>
> 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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>>     
>
>   
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