I have a structure where at one stage TLS parameters were determined and then refined. It caused the R-free to increase so I stopped refining the TLS parameters. Are the TLS parameters still applied to the structure on subsequent refinement runs even when the TLS refinement is off?
Is it appropriate to refine anisotropic B’s for a high resolution (1.35 Å) structure AND apply TLS parameters?
Thanks,
Mark
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Mark A. Saper, Ph.D.
Associate Professor of Biological Chemistry, U-M Medical School