I am refining a low (3A) resolution structure of a 3 domain protein.
There are 4 copies in the ASU. I have been applying tight NCS
restraints by domain in refmac and have pulled the weak MR solution down
to Rfree below 30 (just).
However my question is that in 2 of the 4 copies one of the
It is worth doing sme rounds of non-NCS restrainded refinement then
sending it to the Ethan Merrit server to get TLS groups suggested..
Eleanor
Frank von Delft wrote:
Two points:
1. B-factors tend to differ lots between NCS copies, so you want to
set those restraints rather low (at least, I
Two points:
1. B-factors tend to differ lots between NCS copies, so you want to set
those restraints rather low (at least, I always do, by default)
2. NCS groups tend to need a far more fine-grained description than just
plonking in the whole domain. For structures in my lab, we often see
Sounds like a good candidate for (domain-level) TLS to me.
Cheers
Martyn
-Original Message-
From: CCP4 bulletin board on behalf of Nicholas Keep
Sent: Thu 1/8/2009 10:54 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] NCS restraints of domains
I am refining a low (3A) resolution
Dear Nick
Using TLS sometimes improves behaviour of NCS restraints (it makes
sense since remaining B values should be similar). However in other
cases it does not improve. Perhaps removal of B value restraints for
these domains may improve NCS restrained refinement. I have not done
tests
