[phenixbb] refinement problems
Christine Gee
chrgee at gmail.com
Fri Feb 29 17:00:27 PST 2008
Hi
This is a more general crystallography question maybe. I am using
phenix.refine and I have a model structure refined against data at
3.4A. The model was built from experimental phasing. I reprocessed
the same dataset, to include another angstrom resolution (3.3). It
has 50% of the data from 3.4 to 3.3 and the I/sigI is about 2. When
I refine my structure at 3.4 the stats are 32 and 36 for R and Rfree,
but when I use the phase extended data (and the same reflections are
the test set up to 3.4A as long as CCP4i did the job right with
setting the Rfree) the stats suddenly jump to 49 and 56 when I refine
the model against the higher resolution data. Is there something I
am missing? I am doing a rigid and an anneal before individual sites
and adp refinement. The space group is P3121.
Regards
Christine
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