RE: [ccp4bb]: planarity restraint in refmac5

[Huiying Li <hli@bragg.bio.uci.edu>]

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On Fri, 13 Jul 2001, Bernhard Rupp wrote:

> My experience in agreement with Garib's advice is that the 
> X-ray weights are probably set high in default. I occasionally
> run a regularization and refine few cycles with x-ray weights 
> low (Garib suggested 0.1, or lower at low res ( < 3.0)).
> 

Thank you for pointing this out. I re-run the same REFMAC5 refinement with
a weight at 0.1, the distortion in geometry is negligible. The default
of X-ray weight in CCP4i (0.5) is apparently way too high for the data
resolution (2.1 A) I have.

Huiying Li
--------------------------------------------------
Huiying Li, Ph. D
Department of Molecular Biology and Biochemistry
University of California at Irvine
Irvine, CA 92697, USA
Tel: 949-824-4322(or -1797);  Fax: 949-824-3280
email: hli@bragg.bio.uci.edu
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