About B factor refinement

lxz at IRIS.LSC.PKU.EDU.CN lxz at IRIS.LSC.PKU.EDU.CN
Mon Apr 15 20:37:01 EST 1996


Dear x-plor users,

     I am interested in the B factor refinement strategy of biomolecular 
structures. In x-plor there are four different methods to refine b factor.
They are
          Overall B-factor refinement
          Overall anisotropic B-factor refinement
          Grouped B-factor refinement
          Individual B-factor refinement
     I want to know how to correctly use them in structure refinements, especially the different applying cases of Grouped and Individual.
     Could you please help me on this point?  I am refining an enzyme-inhibitor
complex structure. The R value has gone down to 23.7%. Can I add water moleculesand proceed to refine B-factors now?
     Thanks!

  Xiaozhou Liu
  Department of Physiology and Biophysics
  College of Life Science
  Peking University
  Beijing, 100871
  P.R.China




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