XmlmmCIF equivalent: struct_mon_prot Data items in the STRUCT_MON_PROT category record details about structural properties of a protein when analyzed at the monomer level. Analogous data items for nucleic acids are given in the STRUCT_MON_NUCL category. For items where the value of the property depends on the method employed to calculate it, the details of the method of calculation are described in data items in the STRUCT_MON_DETAILS category. XmlmmCIF equivalent: struct_mon_prot/RSCC_all The real-space (linear) correlation coefficient RSCC, as described by Jones et al., evaluated over all atoms in the monomer. sum|p~obs~ - [p~obs~]| * sum|p~calc~ - [p~calc~]| RSCC = --------------------------------------------------------------------------------------- { sum|p~obs~ - [p~obs~] |^2^ * sum|p~calc~ - [p~calc~]|^2^ }^1/2^ p~obs~ = the density in an "experimental" map p~calc~ = the density in a "calculated" map sum is taken over the specified grid points The details of how these maps were calculated should be described in _struct_mon_details.RSCC. [ ] indicates an average The sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSCC. Ref: Jones, T. A., Zou, J. Y., Cowan, S. W. and Kjeldgaard, M. (1991). Acta Cryst. A47, 110-119. XmlmmCIF equivalent: struct_mon_prot/RSCC_main The real-space (linear) correlation coefficient RSCC, as described by Jones et al., evaluated over all atoms in the main chain of the monomer. sum|p~obs~ - [p~obs~]| * sum|p~calc~ - [p~calc~]| RSCC = --------------------------------------------------------------------------------------- { sum|p~obs~ - [p~obs~] |^2^ * sum|p~calc~ - [p~calc~]|^2^ }^1/2^ p~obs~ = the density in an "experimental" map p~calc~ = the density in a "calculated" map sum is taken over the specified grid points The details of how these maps were calculated should be described in _struct_mon_details.RSCC. [ ] indicates an average and the sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSCC. Ref: Jones, T. A., Zou, J. Y., Cowan, S. W. and Kjeldgaard, M. (1991). Acta Cryst. A47, 110-119. XmlmmCIF equivalent: struct_mon_prot/RSCC_side The real-space (linear) correlation coefficient RSCC, as described by Jones et al., evaluated over all atoms in the side chain of the monomer. sum|p~obs~ - [p~obs~]| * sum|p~calc~ - [p~calc~]| RSCC = ------------------------------------------------------------------- { sum|p~obs~ - [p~obs~] |^2^ * sum|p~calc~ - [~calc~]|^2^ }^1/2^ p~obs~ = the density in an "experimental" map p~calc~ = the density in a "calculated" map sum is taken over the specified grid points The details of how these maps were calculated should be described in _struct_mon_details.RSCC. [ ] indicates an average and the sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSCC. Ref: Jones, T. A., Zou, J. Y., Cowan, S. W. and Kjeldgaard, M. (1991). Acta Cryst. A47, 110-119. XmlmmCIF equivalent: struct_mon_prot/RSR_all The real-space residual RSR, as described by Branden and Jones, evaluated over all atoms in the monomer. sum|p~obs~ - p~calc~| RSR = ------------------------------------- sum|p~obs~ + p~calc~| p~obs~ = the density in an "experimental" map p~calc~ = the density in a "calculated" map sum is taken over the specified grid points The details of how these maps were calculated should be described in _struct_mon_details.RSR. The sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSR. Ref: Branden, C.-I. and Jones, T. A. (1990). Nature, 343, 687-689. XmlmmCIF equivalent: struct_mon_prot/RSR_main The real-space residual RSR, as described by Branden and Jones, (1990) evaluated over all atoms in the main chain of the monomer. sum|p~obs~ - p~calc~| RSR = ----------------------------------------- sum|p~obs~ + p~calc~| p~obs~ = the density in an "experimental" map p~calc~ = the density in a "calculated" map sum is taken over the specified grid points The details of how these maps were calculated should be described in _struct_mon_details.RSR. The sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSR. Ref: Branden, C.-I. and Jones, T. A. (1990). Nature, 343, 687-689. XmlmmCIF equivalent: struct_mon_prot/RSR_side The real-space residual RSR, as described by Branden and Jones, (1990) evaluated over all atoms in the side chain of the monomer. sum|p~obs~ - p~calc~| RSR = ----------------------------------------- sum|p~obs~ + p~calc~| p~obs~ = the density in an "experimental" map p~calc~ = the density in a "calculated" map sum is taken over the specified grid points The details of how these maps were calculated should be described in _struct_mon_details.RSR. The sums are taken over all map grid points near the relevant atoms. The radius for including grid points in the calculation should also be given in _struct_mon_details.RSR. Ref: Branden, C.-I. and Jones, T. A. (1990). Nature, 343, 687-689. XmlmmCIF equivalent: struct_mon_prot/auth_asym_id A component of the identifier for the monomer. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category. XmlmmCIF equivalent: struct_mon_prot/auth_comp_id A component of the identifier for the monomer. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category. XmlmmCIF equivalent: struct_mon_prot/auth_seq_id A component of the identifier for the monomer. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category. XmlmmCIF equivalent: struct_mon_prot/chi1 The value in degrees of the side chain torsion angle chi1, for those residues containing such an angle. XmlmmCIF equivalent: struct_mon_prot/chi2 The value in degrees of the side chain torsion angle chi2, for those residues containing such an angle. XmlmmCIF equivalent: struct_mon_prot/chi3 The value in degrees of the side chain torsion angle chi3, for those residues containing such an angle. XmlmmCIF equivalent: struct_mon_prot/chi4 The value in degrees of the side chain torsion angle chi4, for those residues containing such an angle. XmlmmCIF equivalent: struct_mon_prot/chi5 The value in degrees of the side chain torsion angle chi5, for those residues containing such an angle. XmlmmCIF equivalent: struct_mon_prot/details A description of special aspects of the residue, its conformation, behavior in refinement, or any other aspect that requires annotation. XmlmmCIF equivalent: struct_mon_prot/mean_B_all The mean value of the isotropic temperature factor for all atoms in the monomer. XmlmmCIF equivalent: struct_mon_prot/mean_B_main The mean value of the isotropic temperature factor for atoms in the main chain of the monomer. XmlmmCIF equivalent: struct_mon_prot/mean_B_side The mean value of the isotropic temperature factor for atoms in the side chain of the monomer. XmlmmCIF equivalent: struct_mon_prot/omega The value in degrees of the main chain torsion angle omega. XmlmmCIF equivalent: struct_mon_prot/phi The value in degrees of the main chain torsion angle phi. XmlmmCIF equivalent: struct_mon_prot/psi The value in degrees of the main chain torsion angle psi. XmlmmCIF equivalent: struct_mon_prot/label_alt_id A component of the identifier for the monomer. This data item is a pointer to _atom_sites_alt.id in the ATOM_SITES_ALT category. XmlmmCIF equivalent: struct_mon_prot/label_asym_id A component of the identifier for the monomer. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category. XmlmmCIF equivalent: struct_mon_prot/label_comp_id A component of the identifier for the monomer. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category. XmlmmCIF equivalent: struct_mon_prot/label_seq_id A component of the identifier for the monomer. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.