Using TLS is the appropriate way to handle this situation. The restraints between NCS related atoms (if you are using NCS restraints) will be applied to the residual ADPs, not the total (i.e. the TLS should account for the difference in overall B for the molecules). On Aug 21, 2009, at 8:17 AM, James Whittle wrote:

Dear all,

I'm working with a structure were one NCS copy has significantly high B-factors than the other. That one copy makes few crystal contacts to stabilize it.

Is there a recommended way to adjust the refinement to reflect this ... using TLS? Decreasing b_factor_weight? Is there a way refine a group_b to be added to the b-factor of each atom in that chain?

--James _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb

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