Dear James,

I had a similar case with an active site loop which could have an open
and closed conformation. This loop had extremely high B-factors but
good, albeit low electron density. I believe this was because the loop
had this (well-defined) conformation only in say 50% of the protein
molecules, having another or disordered conformation in the rest of the
molecules. The high B-factors are thus a refinement artifact of this
conformation having partial occupancy. In the end, it comes down to
(SA-omit) maps.

Best regards,
Herman 

-----Original Message-----
From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of
James Stroud
Sent: Wednesday, May 06, 2009 10:45 AM
To: [email protected]
Subject: [ccp4bb] Bfactor as Measure of Presence

Hello,

I have a 2.45 A structure with an average b factor of 50.6. A region I
am particularly interested in has an average b factor of 87. At what
point do I say that the region is "disordered"? Does it come down to
maps? If I have reasonable simulated omit maps but the b factor is 87,
how much confidence can I have about my interpretation of the maps?

James

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