_block.id ADH041 loop_ _atom_site.id _atom_site.label_atom_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_seq_id _atom_site.label_alt_id _atom_site.cartn_x _atom_site.cartn_y _atom_site.cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.entity_id _atom_site.entity_seq_num 1 O5* G A 1 . 7.231 -2.196 -5.399 1.00 22.25 1 1 2 C5* G A 1 . 6.950 -3.464 -4.723 1.00 15.86 1 1 3 C4* G A 1 . 8.299 -4.018 -4.302 1.00 15.20 1 1 4 O4* G A 1 . 9.257 -3.779 -5.318 1.00 10.85 1 1 5 C3* G A 1 . 8.912 -3.354 -3.074 1.00 15.62 1 1 6 O3* G A 1 . 8.397 -3.826 -1.833 1.00 20.67 1 1 163 O1 HOH S 9 . 14.585 15.313 1.617 1.00 14.98 2 . 164 O2 HOH S 10 . 14.594 0.902 9.098 1.00 22.76 2 . 165 O3 HOH S 11 . 16.943 10.508 6.253 1.00 57.46 2 . _atom_sites.block_id ADH041 _atom_sites.frac_tran_matrix[1][1] 0.023496 _atom_sites.frac_tran_matrix[1][2] 0.0 _atom_sites.frac_tran_matrix[1][3] 0.0 _atom_sites.frac_tran_matrix[2][1] 0.0 _atom_sites.frac_tran_matrix[2][2] 0.023496 _atom_sites.frac_tran_matrix[2][3] 0.0 _atom_sites.frac_tran_matrix[3][1] 0.0 _atom_sites.frac_tran_matrix[3][2] 0.0 _atom_sites.frac_tran_matrix[3][3] 0.040634 _cell.block_id ADH041 _cell.length_a 42.560 _cell.length_b 42.560 _cell.length_c 24.610 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 loop_ _chem_comp.id _chem_comp.name A ADE T THY C CYT G GUA HOH WATER loop_ _citation.id _citation.title _citation.country _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.year _citation.page_last _citation.journal_coden_ASTM _citation.journal_coden_ISSN primary ; Crystal and Molecular Structure of d(GTCTAGAC) ; DK 'Acta Crystallogr.,Sect.B' 48 714 1992 719 ASBSDK 0108-7681 loop_ _citation_author.citation_id _citation_author.name primary 'Cervi, A.' primary 'Langlois DEstaintot, B.' primary 'Hunter, W. N.' _computing.block_id ADH041 _computing.structure_refinement 'NUCLSQ' _diffrn.block_id ADH041 _diffrn.ambient_temp 295.00 _diffrn_measurement.block_id ADH041 _diffrn_measurement.device_type DIFFRACTOMETER _diffrn_measurement.device_specific 'RIGAKU AFC-5' _diffrn_radiation.block_id ADH041 _diffrn_radiation.source_type 'ROTATING ANODE ' _diffrn_radiation.wavelength 1.54 loop_ _entity.id _entity.type _entity.src_method 1 polymer 'SYNTHETIC' 2 water . loop_ _entity_keywords.entity_id _entity_keywords.text 1 'NUCLEIC ACID' loop_ _entity_poly.entity_id _entity_poly.number_of_monomers _entity_poly.type 1 8 'polydeoxyribonucleotide' loop_ _entity_poly_seq.entity_id _entity_poly_seq.mon_id _entity_poly_seq.num 1 G 1 1 T 2 1 C 3 1 T 4 1 A 5 1 G 6 1 A 7 1 C 8 _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'vapor diffusion' _exptl_crystal_grow.pH 6.8 _exptl_crystal_grow.temp '295.0' loop_ _exptl_crystal_grow_comp.id _exptl_crystal_grow_comp.sol_id _exptl_crystal_grow_comp.name 1 1 'MPD' 2 1 'Na Cacodylate' 3 1 'MgCl2' 4 1 'Spermine HCL' 5 2 'MPD' _struct.block_id ADH041 _struct.title ; 5'-D(*GP*TP*CP*TP*AP*GP*AP*C)-3' ; _struct.keywords 'DEOXYRIBONUCLEIC ACID' loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 'NUCLEIC ACID' S 2 'H2O' _struct_biol.id 1 _struct_biol.details 'FULL DUPLEX A DNA' loop_ _struct_biol_gen.biol_id _struct_biol_gen.asym_id _struct_biol_gen.symmetry 1 A 1_555 1 A 7_555 1 S 1_555 1 S 7_555 loop_ _struct_biol_keywords.biol_id _struct_biol_keywords.text 1 'DNA' 1 'A DNA' 1 'DNA DUPLEX' loop_ _struct_conf.id _struct_conf.conf_type_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id CHAIN-A HELX-RHA G A 1 C A 8 loop_ _struct_conn_type.id _struct_conn_type.criteria hydrog ; N to O distance > 2.5 Angstroms and < 3.5 Angstroms, N - O - C angle < 120 degrees ; loop_ _struct_conf_type.id _struct_conf_type.criteria HELX-RHA 'AUTHOR JUDGEMENT' loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_symmetry _struct_conn.details 1 hydrog G A 1 N2 1_555 C A 8 O2 7_555 WATSON-CRICK 2 hydrog G A 1 N1 1_555 C A 8 N3 7_555 WATSON-CRICK 3 hydrog G A 1 O6 1_555 C A 8 N4 7_555 WATSON-CRICK 4 hydrog T A 2 N3 1_555 A A 7 N1 7_555 WATSON-CRICK 5 hydrog T A 2 O4 1_555 A A 7 N6 7_555 WATSON-CRICK 6 hydrog C A 3 O2 1_555 G A 6 N2 7_555 WATSON-CRICK 7 hydrog C A 3 N3 1_555 G A 6 N1 7_555 WATSON-CRICK 8 hydrog C A 3 N4 1_555 G A 6 O6 7_555 WATSON-CRICK 9 hydrog T A 4 N3 1_555 A A 5 N1 7_555 WATSON-CRICK 10 hydrog T A 4 O4 1_555 A A 5 N6 7_555 WATSON-CRICK 11 hydrog A A 5 N1 1_555 T A 4 N3 7_555 WATSON-CRICK 12 hydrog A A 5 N6 1_555 T A 4 O4 7_555 WATSON-CRICK 13 hydrog G A 6 N2 1_555 C A 3 O2 7_555 WATSON-CRICK 14 hydrog G A 6 N1 1_555 C A 3 N3 7_555 WATSON-CRICK 15 hydrog G A 6 O6 1_555 C A 3 N4 7_555 WATSON-CRICK 16 hydrog A A 7 N1 1_555 T A 2 N3 7_555 WATSON-CRICK 17 hydrog A A 7 N6 1_555 T A 2 O4 7_555 WATSON-CRICK 18 hydrog C A 8 O2 1_555 G A 1 N2 7_555 WATSON-CRICK 19 hydrog C A 8 N3 1_555 G A 1 N1 7_555 WATSON-CRICK 20 hydrog C A 8 N4 1_555 G A 1 O6 7_555 WATSON-CRICK _symmetry.block_id ADH041 _symmetry.space_group_name_H-M 'P 43 21 2'