The positions of the two molecules in the asymmetric unit must be optimized using rigid-body refinement. This is carried out with the CNS task file rigid.inp:
cns_solve < rigid.inp > rigid.out [4 minutes]
It is important to remember to use the reflection file which contains cross-validation information.
A small movement of one monomer is seen upon rigid-body refinement:
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| MBP monomers before (red) and after (blue) rigid body refinement. |