[ccp4bb]: TLS REFINEMENT & structure deposition

["florian" <florian@sgx3.bmb.uga.edu>]

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My question has two parts:
I am refining a structure that has 222 residues. The current R factore is
25% and the Rfree is 31%. When I divided my structure into three fragments
(according to the gaps present) and enabled the TLS refinement the Rfactor
as well as the Rfree dropped 5%. I did not observe a particular improvement
of my maps afterwards and the shifts in the coordinates are minor. Is this
reasonable ?

If this is acceptable, what is the common praxis for including the TLS
parameters when depositing structures with to the PDB?
Any advice is appreciated.

Florian Schubot