data_UDB007 # _entry.id UDB007 # _audit.revision_id 1 _audit.creation_date 2001-10-03 _audit.update_record ; This preliminary mmCIF data file was originally created by the Nucleic Acid Database Project and is being released as part of the RCSB PDB data uniformity project. This data file is provided for test purposes. This file is not the author approved archival version of this entry which can be obtained in PDB format from ftp://ftp.rcsb.org or one of the PDB ftp mirror sites. ; # loop_ _audit_conform.dict_name _audit_conform.dict_version _audit_conform.dict_location cif_mm.dic 2.0.03 http://pdb.rutgers.edu/mmcif/dictionaries/ascii/cif_mm.dic cif_pdbx.dic 0.8.07 http://pdb.rutgers.edu/mmcif/dictionaries/ascii/pdbx_exchange.dic # _database.entry_id UDB007 _database.code_CSD ? # loop_ _database_2.database_id _database_2.database_code NDB UDB007 RCSB UDB007 # loop_ _database_PDB_rev.num _database_PDB_rev.date _database_PDB_rev.date_original _database_PDB_rev.status _database_PDB_rev.replaces _database_PDB_rev.mod_type 1 1988-08-18 1988-08-18 ? ? 0 2 2001-09-21 ? ? ? 5 # loop_ _audit_author.name 'Camerman, N.' 'Fawcett, J.K.' 'Camerman, A.' # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher primary ;Molecular Structure of a Deoxyribose-Dinucleotide, Sodium Thymidylyl-(5'-3')-Thymidylate-(5') Hydrate (pTpT), and a Possible Structural Model for Polythymidylate ; J.Mol.Biol. 107 601 621 1976 JMOBAK UK 0022-2836 0070 ? 1 ;Structure of a Dinucleotide: Thymidylyl-(5'-3')-Thymidylyl-5' (pTpT). ; Science 182 1142 1143 1973 SCIEAS US 0036-8075 0038 ? # loop_ _citation_author.citation_id _citation_author.name primary 'Camerman, N.' primary 'Fawcett, J.K.' primary 'Camerman, A.' 1 'Camerman, N.' 1 'Fawcett, J.K.' 1 'Camerman, A.' # _cell.entry_id UDB007 _cell.length_a 16.060 _cell.length_b 15.130 _cell.length_c 15.650 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id UDB007 _symmetry.space_group_name_H-M 'P 21 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details 1 polymer syn ;DNA (5'-D(*TP*T)-3') ; 563.434 1 ? 2 non-polymer syn 'SODIUM ION' 22.990 2 ? 3 water nat water 18.015 15 ? # _entity_poly.entity_id 1 _entity_poly.type polydeoxyribonucleotide _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 1 1 T 1 2 T # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight T 'DNA linking' y 'THYMIDINE-5'-MONOPHOSPHATE' ? 'C10 H15 N2 O8 P1' 322.211 NA non-polymer . 'SODIUM ION' ? 'NA1 1+' 22.990 HOH non-polymer . WATER ? 'H2 O1' 18.015 # _exptl.entry_id UDB007 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas 1.5870 _exptl_crystal.density_Matthews ? _exptl_crystal.density_percent_sol 36.1000 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id ? _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.40 _exptl_crystal_grow.pdbx_details ? _exptl_crystal_grow.pdbx_pH_range ? # loop_ _exptl_crystal_grow_comp.crystal_id _exptl_crystal_grow_comp.id _exptl_crystal_grow_comp.sol_id _exptl_crystal_grow_comp.name _exptl_crystal_grow_comp.volume _exptl_crystal_grow_comp.conc _exptl_crystal_grow_comp.details 1 1 1 ETHANOL 1 2 3 1 2 1 WATER 4 5 6 # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector DIFFRACTOMETER _diffrn_detector.type ? _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5400 # _diffrn_source.diffrn_id 1 _diffrn_source.source ? _diffrn_source.type ? _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? # _reflns.entry_id UDB007 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F 2.000 _reflns.d_resolution_low ? _reflns.d_resolution_high 1.140 _reflns.number_obs 971 _reflns.number_all 1373 _reflns.percent_possible_obs ? _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? # _computing.entry_id UDB007 _computing.data_collection ? _computing.data_reduction ? _computing.structure_solution ? _computing.structure_refinement ? _computing.pdbx_structure_refinement_method 'FULL MATRIX LEAST SQUARES' # loop_ _refine.entry_id _refine.ls_number_reflns_obs _refine.ls_number_reflns_all _refine.pdbx_ls_sigma_I _refine.pdbx_ls_sigma_F _refine.pdbx_data_cutoff_high_absF _refine.pdbx_data_cutoff_low_absF _refine.pdbx_data_cutoff_high_rms_absF _refine.ls_d_res_low _refine.ls_d_res_high _refine.ls_percent_reflns_obs _refine.ls_R_factor_obs _refine.ls_R_factor_all _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free _refine.ls_R_factor_R_free_error _refine.ls_R_factor_R_free_error_details _refine.ls_percent_reflns_R_free _refine.ls_number_reflns_R_free _refine.ls_number_parameters _refine.ls_number_restraints _refine.occupancy_min _refine.occupancy_max _refine.B_iso_mean _refine.aniso_B[1][1] _refine.aniso_B[2][2] _refine.aniso_B[3][3] _refine.aniso_B[1][2] _refine.aniso_B[1][3] _refine.aniso_B[2][3] _refine.solvent_model_details _refine.solvent_model_param_ksol _refine.solvent_model_param_bsol _refine.pdbx_ls_cross_valid_method _refine.details _refine.pdbx_starting_model _refine.pdbx_method_to_determine_struct _refine.pdbx_isotropic_thermal_model _refine.pdbx_stereochemistry_target_values _refine.pdbx_stereochem_target_val_spec_case _refine.pdbx_R_Free_selection_details _refine.pdbx_overall_ESU_R_Free _refine.ls_redundancy_reflns_obs _refine.correlation_coeff_Fo_to_Fc _refine.correlation_coeff_Fo_to_Fc_free _refine.overall_SU_R_Cruickshank_DPI _refine.overall_SU_R_free _refine.overall_SU_ML _refine.overall_SU_B UDB007 971 ? ? 2.000 ? ? ? ? 1.140 ? 0.1090000 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? UDB007 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? UDB007 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 0 _refine_hist.pdbx_number_atoms_nucleic_acid 41 _refine_hist.pdbx_number_atoms_ligand 4 _refine_hist.number_atoms_solvent 15 _refine_hist.number_atoms_total 60 _refine_hist.d_res_high 1.140 _refine_hist.d_res_low . # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number o_bond_d ? ? ? ? o_bond_d_na ? ? ? ? o_bond_d_prot ? ? ? ? o_angle_d ? ? ? ? o_angle_d_na ? ? ? ? o_angle_d_prot ? ? ? ? o_angle_deg ? ? ? ? o_angle_deg_na ? ? ? ? o_angle_deg_prot ? ? ? ? o_dihedral_angle_d ? ? ? ? o_dihedral_angle_d_na ? ? ? ? o_dihedral_angle_d_prot ? ? ? ? o_improper_angle_d ? ? ? ? o_improper_angle_d_na ? ? ? ? o_improper_angle_d_prot ? ? ? ? o_mcbond_it ? ? ? ? o_mcangle_it ? ? ? ? o_scbond_it ? ? ? ? o_scangle_it ? ? ? ? # _struct.entry_id UDB007 _struct.title ;MOLECULAR STRUCTURE OF A DEOXYRIBOSE-DINUCLEOTIDE, SODIUM THYMIDYLYL-(5'-3')-THYMIDYLATE-(5') HYDRATE (PTPT), AND A POSSIBLE STRUCTURAL MODEL FOR POLYTHYMIDYLATE ; _struct.pdbx_model_details ? # _struct_keywords.entry_id UDB007 _struct_keywords.pdbx_keywords DNA _struct_keywords.text 'U-DNA, SINGLE STRAND, OPEN' # loop_ _struct_asym.id _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N 1 ? B N 2 ? C N 2 ? D N 3 ? # _struct_biol.id 1 _struct_biol.pdbx_parent_biol_id ? _struct_biol.details ? # loop_ _struct_biol_gen.biol_id _struct_biol_gen.asym_id _struct_biol_gen.symmetry _struct_biol_gen.details _struct_biol_gen.pdbx_full_symmetry_operation 1 A 1_555 ? x,y,z 1 B 1_555 ? x,y,z 1 C 1_555 ? x,y,z 1 D 1_555 ? x,y,z # _database_PDB_matrix.entry_id UDB007 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id UDB007 _atom_sites.Cartn_transform_axes ? _atom_sites.fract_transf_matrix[1][1] 0.062267 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.066094 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.063898 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_sites_alt.id _atom_sites_alt.details . ? A ? B ? C ? # _atom_sites_footnote.id 1 _atom_sites_footnote.text 'THIS SODIUM ION AND SOME WATERS ARE DISORDERED' # loop_ _atom_type.symbol O P C N NA # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.Cartn_x_esd _atom_site.Cartn_y_esd _atom_site.Cartn_z_esd _atom_site.occupancy_esd _atom_site.B_iso_or_equiv_esd _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 O O3P . T A 1 1 ? 6.347 4.097 1.321 1.00 10.00 ? ? ? ? ? 1 T A O3P 1 ATOM 2 P P . T A 1 1 ? 5.298 5.173 1.542 1.00 10.00 ? ? ? ? ? 1 T A P 1 ATOM 3 O O1P . T A 1 1 ? 5.859 6.344 2.227 1.00 10.00 ? ? ? ? ? 1 T A O1P 1 ATOM 4 O O2P . T A 1 1 ? 4.572 5.391 0.227 1.00 10.00 ? ? ? ? ? 1 T A O2P 1 ATOM 5 O O5* . T A 1 1 ? 4.296 4.497 2.604 1.00 10.00 ? ? ? ? ? 1 T A O5* 1 ATOM 6 C C5* . T A 1 1 ? 3.329 3.537 2.189 1.00 3.60 ? ? ? ? ? 1 T A C5* 1 ATOM 7 C C4* . T A 1 1 ? 2.631 2.981 3.413 1.00 3.40 ? ? ? ? ? 1 T A C4* 1 ATOM 8 O O4* . T A 1 1 ? 3.577 2.168 4.188 1.00 3.60 ? ? ? ? ? 1 T A O4* 1 ATOM 9 C C3* . T A 1 1 ? 2.231 4.052 4.467 1.00 4.30 ? ? ? ? ? 1 T A C3* 1 ATOM 10 O O3* . T A 1 1 ? 0.984 3.518 5.100 1.00 10.00 ? ? ? ? ? 1 T A O3* 1 ATOM 11 C C2* . T A 1 1 ? 3.318 4.118 5.431 1.00 2.10 ? ? ? ? ? 1 T A C2* 1 ATOM 12 C C1* . T A 1 1 ? 3.740 2.681 5.498 1.00 3.80 ? ? ? ? ? 1 T A C1* 1 ATOM 13 N N1 . T A 1 1 ? 5.223 2.481 5.794 1.00 2.90 ? ? ? ? ? 1 T A N1 1 ATOM 14 C C2 . T A 1 1 ? 5.505 2.233 7.035 1.00 3.10 ? ? ? ? ? 1 T A C2 1 ATOM 15 O O2 . T A 1 1 ? 4.733 2.130 7.985 1.00 3.20 ? ? ? ? ? 1 T A O2 1 ATOM 16 N N3 . T A 1 1 ? 6.850 1.870 7.307 1.00 3.40 ? ? ? ? ? 1 T A N3 1 ATOM 17 C C4 . T A 1 1 ? 7.844 1.826 6.274 1.00 4.80 ? ? ? ? ? 1 T A C4 1 ATOM 18 O O4 . T A 1 1 ? 9.006 1.413 6.697 1.00 6.40 ? ? ? ? ? 1 T A O4 1 ATOM 19 C C5 . T A 1 1 ? 7.433 2.094 5.003 1.00 4.60 ? ? ? ? ? 1 T A C5 1 ATOM 20 C C5M . T A 1 1 ? 8.509 2.044 3.963 1.00 5.50 ? ? ? ? ? 1 T A C5M 1 ATOM 21 C C6 . T A 1 1 ? 6.122 2.555 4.817 1.00 3.50 ? ? ? ? ? 1 T A C6 1 ATOM 22 P P . T A 1 2 ? -0.427 4.138 4.737 1.00 10.00 ? ? ? ? ? 2 T A P 1 ATOM 23 O O1P . T A 1 2 ? -0.527 4.273 3.277 1.00 10.00 ? ? ? ? ? 2 T A O1P 1 ATOM 24 O O2P . T A 1 2 ? -0.737 5.350 5.476 1.00 10.00 ? ? ? ? ? 2 T A O2P 1 ATOM 25 O O5* . T A 1 2 ? -1.373 2.990 5.299 1.00 10.00 ? ? ? ? ? 2 T A O5* 1 ATOM 26 C C5* . T A 1 2 ? -1.315 1.717 4.640 1.00 6.30 ? ? ? ? ? 2 T A C5* 1 ATOM 27 C C4* . T A 1 2 ? -2.380 0.744 5.263 1.00 3.70 ? ? ? ? ? 2 T A C4* 1 ATOM 28 O O4* . T A 1 2 ? -1.884 0.260 6.457 1.00 3.50 ? ? ? ? ? 2 T A O4* 1 ATOM 29 C C3* . T A 1 2 ? -3.755 1.548 5.523 1.00 4.20 ? ? ? ? ? 2 T A C3* 1 ATOM 30 O O3* . T A 1 2 ? -4.781 0.527 5.424 1.00 4.50 ? ? ? ? ? 2 T A O3* 1 ATOM 31 C C2* . T A 1 2 ? -3.577 1.855 7.022 1.00 3.10 ? ? ? ? ? 2 T A C2* 1 ATOM 32 C C1* . T A 1 2 ? -2.706 0.769 7.601 1.00 4.90 ? ? ? ? ? 2 T A C1* 1 ATOM 33 N N1 . T A 1 2 ? -1.800 1.200 8.642 1.00 4.20 ? ? ? ? ? 2 T A N1 1 ATOM 34 C C2 . T A 1 2 ? -2.088 0.927 9.964 1.00 3.70 ? ? ? ? ? 2 T A C2 1 ATOM 35 O O2 . T A 1 2 ? -3.154 0.330 10.265 1.00 3.70 ? ? ? ? ? 2 T A O2 1 ATOM 36 N N3 . T A 1 2 ? -1.214 1.294 10.834 1.00 3.30 ? ? ? ? ? 2 T A N3 1 ATOM 37 C C4 . T A 1 2 ? -0.022 1.866 10.606 1.00 3.90 ? ? ? ? ? 2 T A C4 1 ATOM 38 O O4 . T A 1 2 ? 0.824 2.133 11.528 1.00 4.90 ? ? ? ? ? 2 T A O4 1 ATOM 39 C C5 . T A 1 2 ? 0.283 2.148 9.233 1.00 3.60 ? ? ? ? ? 2 T A C5 1 ATOM 40 C C5M . T A 1 2 ? 1.685 2.790 8.786 1.00 6.10 ? ? ? ? ? 2 T A C5M 1 ATOM 41 C C6 . T A 1 2 ? -0.536 1.802 8.365 1.00 4.50 ? ? ? ? ? 2 T A C6 1 HETATM 42 NA NA . NA B 2 . ? -2.896 6.526 5.407 1.00 4.70 ? ? ? ? ? 3 NA ? NA 1 HETATM 43 NA NA A NA C 2 . ? 1.421 1.465 0.091 0.50 9.00 ? ? ? ? ? 4 NA ? NA 1 HETATM 44 NA NA B NA C 2 . ? 8.030 0.000 -0.023 0.25 13.20 ? ? ? ? ? 4 NA ? NA 1 HETATM 45 NA NA C NA C 2 . ? -4.264 7.179 2.823 0.25 5.90 ? ? ? ? ? 4 NA ? NA 1 HETATM 46 O O . HOH D 3 . ? 1.595 6.890 6.382 1.00 4.30 ? ? ? ? ? 5 HOH ? O 1 HETATM 47 O O . HOH D 3 . ? 7.802 4.984 14.536 1.00 10.30 ? ? ? ? ? 6 HOH ? O 1 HETATM 48 O O . HOH D 3 . ? 3.188 7.358 13.123 1.00 7.20 ? ? ? ? ? 7 HOH ? O 1 HETATM 49 O O . HOH D 3 . ? 0.975 2.875 14.179 1.00 11.80 ? ? ? ? ? 8 HOH ? O 1 HETATM 50 O O . HOH D 3 . ? 3.713 2.524 11.498 1.00 8.40 ? ? ? ? ? 9 HOH ? O 1 HETATM 51 O O . HOH D 3 . ? 8.030 7.565 1.138 1.00 7.50 ? ? ? ? ? 10 HOH ? O 1 HETATM 52 O O . HOH D 3 . ? 8.030 7.565 13.700 1.00 20.80 ? ? ? ? ? 11 HOH ? O 1 HETATM 53 O O . HOH D 3 . ? 2.642 7.532 3.222 0.75 7.40 ? ? ? ? ? 12 HOH ? O 1 HETATM 54 O O . HOH D 3 . ? 2.239 5.420 14.745 0.75 13.10 ? ? ? ? ? 13 HOH ? O 1 HETATM 55 O O . HOH D 3 . ? 6.183 1.443 0.828 1.00 11.70 ? ? ? ? ? 14 HOH ? O 1 HETATM 56 O O . HOH D 3 . ? 3.464 1.247 14.357 0.75 14.10 ? ? ? ? ? 15 HOH ? O 1 HETATM 57 O O . HOH D 3 . ? 2.484 0.089 1.258 1.00 14.60 ? ? ? ? ? 16 HOH ? O 1 HETATM 58 O O . HOH D 3 . ? 4.818 3.707 13.756 1.00 18.50 ? ? ? ? ? 17 HOH ? O 1 HETATM 59 O O . HOH D 3 . ? 0.652 6.403 1.831 0.75 15.90 ? ? ? ? ? 18 HOH ? O 1 HETATM 60 O O . HOH D 3 . ? 1.193 5.984 0.257 0.25 18.80 ? ? ? ? ? 19 HOH ? O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][1]_esd _atom_site_anisotrop.U[1][2]_esd _atom_site_anisotrop.U[1][3]_esd _atom_site_anisotrop.U[2][2]_esd _atom_site_anisotrop.U[2][3]_esd _atom_site_anisotrop.U[3][3]_esd _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id 1 O O3P ? T A 1 0.0670 -0.0100 0.0180 0.1110 -0.0150 0.1550 ? ? ? ? ? ? 1 T A 2 P P ? T A 1 0.0440 -0.0170 0.0080 0.0640 -0.0030 0.0540 ? ? ? ? ? ? 1 T A 3 O O1P ? T A 1 0.0580 -0.0340 0.0070 0.0760 0.0230 0.0390 ? ? ? ? ? ? 1 T A 4 O O2P ? T A 1 0.1000 -0.0750 -0.0280 0.2030 0.0630 0.0790 ? ? ? ? ? ? 1 T A 5 O O5* ? T A 1 0.0240 -0.0300 0.0040 0.0890 0.0190 0.0440 ? ? ? ? ? ? 1 T A 10 O O3* ? T A 1 0.0170 -0.0050 0.0080 0.0460 0.0150 0.0460 ? ? ? ? ? ? 1 T A 22 P P ? T A 2 0.0200 -0.0010 -0.0070 0.0470 0.0020 0.0380 ? ? ? ? ? ? 2 T A 23 O O1P ? T A 2 0.0700 -0.0180 -0.0010 0.0330 -0.0100 0.0670 ? ? ? ? ? ? 2 T A 24 O O2P ? T A 2 0.0180 0.0110 -0.0280 0.0460 -0.0130 0.0720 ? ? ? ? ? ? 2 T A 25 O O5* ? T A 2 0.0300 -0.0230 -0.0260 0.0350 0.0020 0.0440 ? ? ? ? ? ? 2 T A # _database_PDB_remark.id 1 _database_PDB_remark.text 'THE ANISOTROPIC BETA VALUES HAVE BEEN MULTIPLIED BY 10^5' # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id A 1 1 T 1 1 1 T T A A 1 2 T 2 2 2 T T A # loop_ _refine_B_iso.class _refine_B_iso.details _refine_B_iso.treatment 'PHOSPHATE GROUPS' TR anisotropic 'ALL OTHER ATOMS' TR isotropic 'ALL WATERS' TR isotropic # loop_ _refine_occupancy.class _refine_occupancy.treatment 'PHOSPHATE GROUPS' fix 'ALL OTHER ATOMS' fix 'ALL WATERS' fix #