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Hello All,
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<div class="">A general questions though phenix.refine is being used for refinement. A student I am working with has a structure that was solved and initially refined using TLS and NCS parameters. They were given the structure to gain some experience in refinement
and they have been asking me some questions, I was not involved in the initial work. While everything seems to be happy and the model is correct with good refinement statistics for the most part one thing that I am unsure of is some of the heavier atoms (Phosphate
and Sulfer) have very high temperature factors when looking at individual residues or ligands. The temperature factors are at least twice as high as the lighter atoms they are associated with. </div>
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<div class="">I am at a loss to explain what is going on, I really have not used TLS refinement a lot so there is that. Resolution is about 2.5 angstroms with good completeness.</div>
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<div class="">Thoughts?</div>
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<div class="">Thank You in advance</div>
<div class="">Len Thomas</div>
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Leonard Thomas, Ph.D.<br class="">
Biomolecular Structure Core, Director<br class="">
<div class="">Oklahoma COBRE in Structural Biology</div>
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