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

Peter Zwart phzwart at gmail.com
Wed Jan 20 14:06:13 PST 2010


Plumbing meets crystallography?

2010/1/20 George Phillips <phillips at biochem.wisc.edu>:
> Cutting out two pipes without insulation while the wall is open should be VERY easy and inexpensive.  Maybe this is not even worth hassling over, but rather should just do it for owners who want it.
>
> G
>
> George N. Phillips, Jr., Ph.D.
> Professor of Biochemistry and of
>     Computer Sciences
> University of Wisconsin-Madison
> 433 Babcock Dr. Madison, Wi 53706
> Phone/FAX (608) 263-6142
>
>
>
> On Jan 20, 2010, at 3:38 PM, Bart, Aaron G wrote:
>
>>
>> Greetings everyone,
>> I am still fairly new to crystallography, so forgive me for my
>> naivety.
>>
>> My question involves how the TLSMD server segments my protein
>> and the effects it has on refinement. For instance when i use
>> "Multi-Chain Alignment Analysis", which lines the sequence for
>> all of my chains (a total of 12) and shows how TLS groups are
>> divided among them, it shows varying selections of TLS groups
>> among the different chains. It should be noted that the sequence
>> is the same for all the chains in my protein.
>>
>> Also if a TLS group splits a alpha helix into multiple parts, would
>> this be valid? I have come to understand that helices move more like
>> rigid bodies than segmented groups...
>>
>> Thanks!
>>
>> -Aaron
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P.H. Zwart
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Berkeley Center for Structural Biology
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