Can Rfree go up during B-value refinement?

Gerard Kleywegt gerard at xray.bmc.uu.se
Wed Jun 26 15:59:39 EST 1996


In article <4qnec5$au0 at dart.cc.purdue.edu>, barani at dart.cc.purdue.edu
(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 purdue.edu

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

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

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



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