Hi all,
I have a dataset processed in XDS to 2.3 A (based on CC1/2). I'm trying to do "paired refinement" to determine the optimal resolution cutoff. Here is what I get at different resolutions set in Phenix:
Final Rfree/Rwork:
2.7—> 0.2498/0.2027
2.6—> 0.2519/0.2009
2.5—> 0.2567/0.2025
2.4 —> 0.2481/0.2042
2.3 —> 0.2493/0.2075
The geometry of all output structures are similar.
1. What is the high resolution cutoff based on these data? I know that Rfree/Rwork at different resolution should not be compared, but is there a simple way to do the test as described in the K&D 2012 Science paper using Phenix GUI?
2. For refining a structure at a lower resolution (lower than the initial dataset), do I simply set the resolution limit in the refinement or I need to reprocess the data starting from the images? Do I need to do anything with Rfree flags? Based on the discussions on this forum I know I should deposit the highest resolution dataset but my question is about the mtz file which will be used for refinement.
Thank you very much for your help!
|