[phenixbb] R-merge and MOLREP

Yuri yuri.pompeu at ufl.edu
Tue Jul 12 18:53:13 PDT 2011

Hello everyone,

I just collected some data on a new protein. It indexes in P3 and looks 
like I can scale it all the way to P 63 2 2 . My questions are:

1-I see a  reasonable chi-square value 1.69 but r-merge 0.15 (0.49 at 
2.75 A). It was 0.20 before I excluded some bad frames.
I thought this R value is a bit high... Is it? Mosaicty was around 

2- My search model has an identity of around 40%. I tried MOLREP. Seems 
I got a solution LLG=486 PAK=10 TFZ ~30 RFZ ~20.
My R-free before any refinement is 0.54. Two questions here, a) I think 
I only fully understand the meaning of LLG, what about PAK and both 
Z-values? b)is this R-free acceptable or is it also a little high?

Thank you for any input

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