Hi,
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?
Thanks!
Qun Wan
postdoc fellow
Case Western Reserve University
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