RE: high B-factors for some ncs copies

["Brent Segelke" <segelke1@llnl.gov>]

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I really don't understand Lisa's advice.  At the very least, justify the
regions for which release NCS restraints.  Don't just release them all.

-----Original Message-----
From: owner-ccp4bb@dl.ac.uk [mailto:owner-ccp4bb@dl.ac.uk]On Behalf Of
Lisa Edberg
Sent: Monday, June 28, 1999 8:06 AM
To: Susan Heffron; ccp4bb@dl.ac.uk
Subject: Re: high B-factors for some ncs copies


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Dear Susan,

This probably means you are constraining to symmetry that's not really
there. I have the same problem except it's crystallographic symmetry. My
data processed nicely as P212121, 3 monomers in the AU, but I fear it's p21
or worse- what a nightmare! The problem is most telling when you have good
diffraction and overly high overall B. Refine those chains separately.

Lisa

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