PDBx/mmCIF
A Member of the wwPDB

Data Category refine_ls_restr_ncs

Browse:

General

Category name
refine_ls_restr_ncs
Required in PDB entries
no
Category group membership
refine_group
Used in current PDB entries
Yes, in about 7.8 % of entries

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories
70
View abbreviated category relationship diagram including only those categories used in current PDB entries.

Category Description 

               Data items in the REFINE_LS_RESTR_NCS category record details 
               about the restraints applied to atomic positions in domains
               related by non-crystallographic symmetry during least-squares
               refinement, and also about the deviation of the restrained
               atomic parameters at the conclusion of refinement.  It is
               expected that these values will only be reported once for each
               set of restrained domains.

Category Example

View/hide Example 
 
    _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_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^.
    ;

Key Data Items

Category Data Items

View/hide item list