[phenixbb] questions related to Phenix refinement

Smith Lee smith_lee123 at yahoo.com
Sat Jan 17 19:21:07 PST 2015


Dear All,
In the X-ray statistics by resolution bin of the Phenix.refine result, there is a column "%complete".  For my refinement data, I find the better the resolution (from lower resolution to the higher resolution), the lower the completeness (for example for 40-6 A, %complete is 98, for 3.1-3.0 A, %complete is 60%, for 2.2-2.1 A,  %complete is  6%).
Will you please tell me what does this "%complete" mean? why it decreases in the better diffraction bin?
For the Ramachandran restrain in the Phenix.refine, there was a recommendation that for good resolution (I forget how much exactly, maybe 2.5 A), do not use Ramachandran restrain. But for a crystal data with resolution better than 1.5 A, in the X-ray statistics by resolution bin of the Phenix.refine result, there are more rows with resolution poorer than the defined 2.5 A (for example 40-6 A,6-3 A), although the crystal has a resolution better than 1.5 A (for example 1.4 A), can I use Ramachandran restrain in the Phenix.refine in this situation?
If I use Ramachandran restrain in the Phenix.refine, I find the R-work and R-free level goes up, can we say the strategy of Ramachandran restrain in my refinement was not appropriate?
I am looking forward to getting your reply.
Smith

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20150118/35b00842/attachment.htm>


More information about the phenixbb mailing list