The model was rebuilt using P422, but I couldn't get the R/Rfree's down from the mid 30s, despite the entire model being built. Thinking I had a twin problem, I scaled it to C2, the lowest symmetry space group the data collection would allow. I was enthused,however, that twin_map_utils did show a round of refinement where R/Rfree was 30/30 at 2.6A, though I/Sig should be > 2 at 2.8 A. I was hopefully trying to get a model to refine using the way twin_map_utils did to produce the low r/rfree until I hit the phenix.refine twinning bug..

---------------------------------------------

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

On Sep 11, 2007, at 12:32 PM, Peter Zwart wrote:

obs : obs data
calc: Fatoms+Fbulk

No twinning involved in computation of calc

For some reason, the R value between Fcalc for twin related reflections
are all about 14%.
I guess you have pseudo symmetry somehow, but I still would not exclude
P422 ...

Francis E Reyes wrote:

Specifically I'm asking about the obs_and_calc.mtz file it produces.

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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