[phenixbb] Rwork Rfree gap by bust and phenix
zhengzhouzz at gmail.com
Wed Mar 2 22:37:33 PST 2016
Dear phenix experts,
I have sent the question to the buster discussion board one week ago.
I think I'd better consult this problem on the active phenix
I recently solved a P1 crystal structure, 6 fold NCS at 1.6 angstrom
resolution. I used lattice symmetry to generate test set in phenix.
The phenix.refine gave me Rwork/Rfree = 0.1828/0.2081. There are
pieces of positive and negative density for the compounds.
So I tried buster refinement with autoncs, TLS. The density for the
much improved, no obvious positive density. However, It generated
Rwork/Rfree = 0.1801/0.1912. I also find similar R factor examples at
the similar resolution in the buster wiki:
Would the small gap between Rwrok and Rfree be an issue? I have not
deposited buster refined PDB yet, would this acceptable? Any reference
to help if any reviewer questions about the small gap?
Thanks for your advice in advance.
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