[phenixbb] R-free problem with phenix.refine

Vinson LIANG lwg_conrad_1983 at yahoo.com.cn
Thu Oct 21 05:51:16 PDT 2010

Dear all, 

Recently I deposited a structure to PDB. However, I was told

>> The R value of SF check are different from your reported value.
>>     R work in SF check = 0.2859
>>     your reported R work = 0.1474
>> Also there are no R free flags in your sending files, but you reported R 
>> free value in your all deposition.

So, I rerun my deposited file with phenix.refine, and it gave a R-work=0.1475, 

However, when I tried to run the same file with refmac5, error came with "Free R 
label has not been set". I guess phenix.refine gives Rree-R label that other 
program could not recognize. 

Could anyone please help me to solve this problem?
Thank you very much in advance.
I don't know why structure refined with phenix.refine has such problem. I wish 
this problem will disappear in the future, since I so like phenix.refine.



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