[phenixbb] refinement with twinning
alexander.singer at utoronto.ca
alexander.singer at utoronto.ca
Wed Feb 16 11:52:43 PST 2011
Hi -- I have a twinned data set -- approximate twinning fraction of
0.4. I decided to try to try twinned refinement using phenix.refine
in what would seem to be the appropriate manner -- from the "All
Parameters" menu, I select twinning, hit "Run Xtriage now" on my mtz
file, it gives me the input to the "Twin Law", I keep the rest of the
values the same (gave no Anisotropy correction), hit OK, then run 3
cycles of refinement. The only thing is that the Rwork/Rfree values
are really very good, almost too good to be true -- for my 1.7 A
refinement, I have values of 12.4 and 14.8%, respectively for Rwork
and Rfree. Is there anything that I may be doing wrong yielding R
values which are artifically too low?
Thanks for your help
Alex
--
Dr. Alex Singer
C.H. Best Institute
112 College St. Room 70
University of Toronto
Toronto, Canada, M5G 1L6
416-978-4033
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