[phenixbb] Odd twinning issue (or maybe all twinning issues are odd by default)

Peter Zwart PHZwart at lbl.gov
Thu Sep 11 13:07:03 PDT 2008

That is not supposed to happen ....

Not sure what the problem is.
Can you send two logfiles?


2008/9/11 Francis E Reyes <Francis.Reyes at colorado.edu>:
> All
> I had a structure that seemed perfectly twinned in P41 21 2,
> completely built to the observable density (no peaks in 2Fo-Fc map
> over 2sigma) and refined to 33/35 (R/Rfree). I indexed, scaled, and
> merged the original unmerged data to P41, molecular replaced using the
> above model. Three rounds of rigid body refinement of the MR solution
> with group adp's dropped R/Rfree to 28/30 (while generating new free R
> flags based on the P41 data). The resolution was to 2.5 so I skipped
> the NCS. Now I try to do a second round of refinement with this time
> individual_sites and individual_adps with no change to the input
> model. The final R/Rfree's are now in the 50's?
> Am I missing something (fundamental) ?
> Thanks
> FR
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
> 8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D
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P.H. Zwart
Beamline Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
1 Cyclotron Road, Berkeley, CA-94703, USA
Cell: 510 289 9246
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