[phenixbb] Odd twinning issue (or maybe all twinning issues are odd by default)
Francis E Reyes
Francis.Reyes at Colorado.EDU
Thu Sep 11 12:18:11 PDT 2008
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
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8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
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