[phenixbb] question about composite SA_omit map in phenix

crystallogrphy qunwan1 at gmail.com
Fri Aug 28 07:52:19 PDT 2009

I am using molecular replacement to build a model against a 2.2A resolution
data set. However, the template model only has 23% sequence identity. First,
I use chainsaw in CCP4i to prune all side chain to be poly-Ala except the
identical residues. Then I use AutoMR and rigid body refinement, I got
Rfree=50%. The continuous electron density is not bad showing second
structures. However, the model has some out-of-registration problem, for
example, two proline are in a alpha-helix. In other words, it has model
bias. I want to use composite SA-omit to get a less model bias map, not a
simple composite omit map or a SA_omit map ommiting a part of the region.
Does someone know who to do this?


Qun Wan
postdoc fellow
Case Western Reserve University
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