Hello, We have a structure that consists of two molecules per asymmetric unit, each molecule is a hexamer. We solved the structure with molecular replacement, R=22%, Rfree=27%. One hexamer has temp. factors (with bdomain.inp of cns) around 50A2. The other has temp factors >60A2 with two subunits 90A2. Is the second molecule correct? Both molecules were indicated strongly in mol replacement. When we refine one molecule only (as it comes out from mol replacement), we can trace the second in the difference map (with a known model). Just with rigid, the first molecule refines well to R~44%. The second is at R=51-52% when we refine it with rigid alone after molecular replacement.
What the high temp factors mean? They refer to a whole monomer. Additional disorder as a whole? Does anyone know of a structure that this happens? We would appreciate any opinions. Thanks. Mike Colaneri
