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Data items in the REFINE_LS_RESTR_NCS category record details
about the restraints applied to atom positions in domains
related by noncrystallographic symmetry during least-squares
refinement, and also about the deviation of the restrained
atomic parameters at the end of the refinement. It is
expected that these values will only be reported once for each
set of restrained domains.
Example 1 - based on laboratory records for the collagen-like
peptide, HYP-.
_refine_ls_restr_ncs.pdbx_ordinal 1
_refine_ls_restr_ncs.dom_id d2
_refine_ls_restr_ncs.pdbx_refine_id 'X-ray'
_refine_ls_restr_ncs.pdbx_ens_id 1
_refine_ls_restr_ncs.pdbx_asym_id A
_refine_ls_restr_ncs.pdbx_type 'medium positional'
_refine_ls_restr_ncs.weight_position 300.0
_refine_ls_restr_ncs.weight_B_iso 2.0
_refine_ls_restr_ncs.rms_dev_position 0.09
_refine_ls_restr_ncs.rms_dev_B_iso 0.16
_refine_ls_restr_ncs.ncs_model_details
;
NCS restraint for pseudo-twofold symmetry between domains
d1 and d2. Position weight coefficient given in
Kcal/(mol \%A^2^) and isotropic B weight coefficient given
in \%A^2^.
;