Overall Anisotropic B-factors refinement

Djamel Medjahed medjahed at MALIK.NCIFCRF.GOV
Mon Jul 13 14:22:40 EST 1998


I have two-ish X-ray reflection data from a protein-ligand complex.
I am trying to decide if overall anisotropic B-factor refinement would be of
any value in this case.
I have read over and over the instructions and template file posted on the web,
and I am trying to figure what to do with the scaled fobs file that I get?
When piecing together the various chains to reform the macromolecule structure
and coordinate files do I set the B-factors to 0?
Any help from someone who has actually carried out such a refinement would be
greatly appreciated.


Djamel Medjahed                                  (301) 846-1775 (Ph)
medjahed at ncifcrf.gov                             (301) 846-6066 (Fax)
         SAIC/NCI-Frederick Cancer Research and Development Center
                  Structural Biochemistry Program
            P.O. Box B, Bldg 322 Frederick, MD 21702-1201

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