[phenixbb] twin/pseudo-symmetry question

Green, Todd green at cbse.uab.edu
Fri Nov 11 10:03:08 PST 2011

For the R32 set, I generate the r-free in phenix directly from the scalepack file for data processed in R32. For C2, it was generated from the C2 processed scalepack file but in ccp4 using the scalepack2mtz script then imported to phenix(because i used molrep for the molecular replacement). But, I kept this same data file with the same r-free for all of the refinement runs before and during twin refinement. Seem reasonable?


-----Original Message-----
From: phenixbb-bounces at phenix-online.org on behalf of Nathaniel Echols
Sent: Fri 11/11/2011 11:53 AM
To: PHENIX user mailing list
Subject: Re: [phenixbb] twin/pseudo-symmetry question
On Fri, Nov 11, 2011 at 9:47 AM, Green, Todd <green at cbse.uab.edu> wrote:
> the true space group is C2. Are these r-values too low? does the difference
> in values according to each twin law mean something?

I don't know enough to answer the rest of the question, but one thing
to look out for is how you generate the R-free flags - which program
did you use, and when you reprocessed in C2, did you generate a new
set of R-free flags?  If you're not careful with this, you can end up
severely biasing R-free when performing twinned refinement.

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