Distance restraint

Hongmin Li hmli at carb.nist.gov
Tue Apr 11 12:07:30 EST 2000


Hi experts,

I am currently refining a structure containing zinc ions by using CNS.
The Zn atom interacts with His N atoms and Glu O atoms. However, during
refinement, the distance between Zn and N is a little bit larger (2.4A)
than what I saw in literature (about 2.09A, right?). Can any one give me
suggestions? If I need to fix the distance or to change the ion
parameter file? Thanks in advance!

Hongmin

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Hongmin Li, Ph.D.
CARB
9600 Gudelsky Drive
Rockville, MD 20850
Tel: (301)-738-6122
Fax: (301)-738-6255
email: hmli at carb.nist.gov



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