Can Rfree go up during B-value refinement?

Gerard Kleywegt gerard at
Wed Jun 26 15:59:39 EST 1996

In article <4qnec5$au0 at>, barani at
(Raman) wrote:

?>   Can the B-factors ever be over-refined? In other words, theoretically
?>   is it possible for the R-free to increase during B-factor refinement
?>   in X-PLOR ?  Erroneous B-values could increase R-free, but the
?>   question is, would the R-free increase if 'nstep' is increased to
?>   say, 100?  
?>   chumma at

it's even practically possible (and often done) ;-)

just try refining (atomic) anisotropic Bs at 4.0 Å resolution

Gerard J. Kleywegt
Department of Molecular Biology, Biomedical Centre
Uppsala University, Uppsala, SWEDEN

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