[phenixbb] amazing good statistics

Christian Roth christian.roth at bbz.uni-leipzig.de
Tue Apr 3 09:59:32 PDT 2012

Dear Phenix people,

is there a major improvement in the algorithm? I have refined a 2.2 Ang. room 
temperature dataset with very good data statistics (I think)  
Rmerge  3.7%(8.9%)   
completeness  96%(92%)
I/sigI  16,6(8,8)
in parentheses are the values for the highest resolution shell. 

After refinement I have a R/Rfree of 0.1294/0.1670.
In some shells there are values close to 0.100 and in the lowest shell Rfree 
is lower than Rwork. 
The quality of the data are really quite good, what is probably one of the 
reasons,  but I am close or below to the border of the Range of R values in 
the pdb. Great for me, but I wanna be sure that it is really true.
It was a MolRep with a close homolog, but I run a torsion angle sim annealing 
to decouple R/Rfree and the MolRep was done with an poly-Ala model to prevent 
too much model bias. 

Best Regards 


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