[phenixbb] Rwork Rfree gap by bust and phenix

Zheng Zhou 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
discussion board.

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
compounds are
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.



More information about the phenixbb mailing list