[phenixbb] refinement problems
Peter Zwart
PHZwart at lbl.gov
Fri Feb 29 17:09:53 PST 2008
Hi Christine,
try
phenix.xtriage olddata.sca reference.data.file_name=newdata.sca
and check if you need to 'reindex' your data/model.
Cheers
Peter
2008/2/29, Christine Gee <chrgee at gmail.com>:
> 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
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://www.phenix-online.org/mailman/listinfo/phenixbb
>
More information about the phenixbb
mailing list