[phenixbb] How do different sections of TLS groups affect refinment

Kendall Nettles knettles at scripps.edu
Wed Jan 20 16:24:33 PST 2010

I was suggesting that tls motions may be representative of larger  
motions that occur in solution, which we may get snapshots of by  
comparing different structures.


On Jan 20, 2010, at 7:03 PM, "Pavel Afonine" <PAfonine at lbl.gov> wrote:

>> There are many examples of helices flexing or breaking in comparing
>> strucures of the same protein bound to different ligands, so don't
>> worry about that.
> If I understood your point correctly... I think there are two  
> different
> things:
> 1) different helix shapes across multiple crystal structures (and
> multiple datasets associated with them), and
> 2) a helix in a particular crystal structure (with one single dataset
> associated with it) that flexes-bends-brakes back-and-forth enough to
> accept that it can be broken down into multiple (tls-refinable) rigid
> bodies.
> In refinement we deal with "2)" and therefore I was skeptical about  
> such
> possibility.
> Pavel.
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