[phenixbb] refinement question
chern at ualberta.ca
Fri Jun 26 10:44:43 PDT 2009
Thank you very much for you input. I appreciate your idea to keep the
ncs, but remove it from some parts of the model that have violations.
Francis E Reyes wrote:
> NCS restraints increases the data:parameter ratio in low resolution
> situations. Others have suggested not releasing NCS restraints unless
> your resolution is > 2.0A and the model is complete (as including NCS
> can help you build/complete your model with the use of NCS averaged
> maps). When you do not include NCS, do you see sidechain differences
> among the monomers making up the NCS?
> Personally I keep NCS in unless I do see genuine differences among the
> monomers (which could be biologically significant depending on your
> system). Of course these small differences (say in a binding pocket)
> would likely need to be verified with omit maps or even better,
> Just my 0.02.
> On Jun 26, 2009, at 9:49 AM, Maia Cherney wrote:
>> Hi all,
>> I am wondering why the ncs refinement gives me a better Rfree (21.0%)
>> than without ncs (21.7%). I have this experience with different
>> and different data (3.3 A and 2.3 A). The R work is similar ~18%
>> As it's a fact with my data, which refinement do you think should be
>> phenixbb mailing list
>> phenixbb at phenix-online.org
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
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