data_SASDEG5_MAIN # _sas_result.id 1135 _sas_result.SASBDB_code SASDEG5 _sas_result.experimental_MW 171.000 _sas_result.experimental_MW_error . _sas_result.MW_standard . _sas_result.MW_standard_error . _sas_result.MW_Porod 188.000 _sas_result.MW_Porod_error . _sas_result.I0_from_PR . _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 154.9000000000 _sas_result.I0_from_Guinier_error . _sas_result.Rg_from_PR . _sas_result.Rg_from_PR_error . _sas_result.Rg_from_Guinier 3.730 _sas_result.Rg_from_Guinier_error . _sas_result.D_max . _sas_result.Porod_volume 300.00 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 21 _sas_result.Guinier_point_max 65 _sas_result.type_of_curve single_conc _sas_result.standard . _sas_result.Dmax_error . _sas_result.comments . # _sas_scan.title "apo human adenylosuccinate lyase (ADSL)" _sas_scan.detc_id 16 _sas_scan.id 1135 _sas_scan.measurement_date 2015-11-13 _sas_scan.storage_temperature 20.0 _sas_scan.cell_temperature 20.0 _sas_scan.exposure_time 1.000 _sas_scan.number_of_frames 10 _sas_scan.unit 1/nm _sas_scan.qmin 0.0467 _sas_scan.qmax 3.8035 _sas_scan.sample_id 1096 _sas_scan.result_id 1135 _sas_scan.beam_id 10 # _sas_beam.id 10 _sas_beam.instrument_name "ESRF BM29" _sas_beam.instrument_city Grenoble _sas_beam.instrument_country France _sas_beam.shape . _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength 0.099000 _sas_beam.dist_spec_to_detc 2.86400 # _sas_detc.id 16 _sas_detc.name "Pilatus 1M" _sas_detc.type Dectris _sas_detc.pixsize_x 172.000 # _sas_sample.id 1096 _sas_sample.name "apo human adenylosuccinate lyase (ADSL)" _sas_sample.ext_coefficient . _sas_sample.contrast . _sas_sample.specific_vol . _sas_sample.purity_method . _sas_sample.dry_vol . _sas_sample.sample_MW . _sas_sample.specimen_concentration 5.00 _sas_sample.concentration_method . _sas_sample.entity_id 1310 # _sas_buffer.id 686 _sas_buffer.name "10 mM HEPES, 100 mM NaCl, 1 mM DTT" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 7.500 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 1096 # _entity.id 1310 _entity.type protein _entity.pdbx_description "Adenylosuccinate Lyase" _entity.formula_weight 55.170 _entity.pdbx_number_of_molecules 4 # _entity_name_com.entity_id 1310 _entity_name_com.name ADSL # _entity_poly.entity_id 1310 _entity_poly.pdbx_seq_one_letter_code ;GSHMAAGGDHGSPDSYRSPLASRYASPEMCFVFSDRYKFRTWR QLWLWLAEAEQTLGLPITDEQIQEMKSNLENIDFKMAAEEEKRLRHDVMAHVHTFGHCCP KAAGIIHLGATSCYVGDNTDLIILRNALDLLLPKLARVISRLADFAKERASLPTLGFTHF QPAQLTTVGKRCCLWIQDLCMDLQNLKRVRDDLRFRGVKGTTGTQASFLQLFEGDDHKVE QLDKMVTEKAGFKRAFIITGQTYTRKVDIEVLSVLASLGASVHKICTDIRLLANLKEMEE PFEKQQIGSSAMPYKRNPMRSERCCSLARHLMTLVMDPLQTASVQWFERTLDDSANRRIC LAEAFLTADTILNTLQNISEGLVVYPKVIERRIRQELPFMATENIIMAMVKAGGSRQDCH EKIRVLSQQAASVVKQEGGDNDLIERIQVDAYFSPIHSQLDHLLDPSSFTGRASQQVQRF LEEEVYPLLKPYESVMKVKAELCL ; # _entity_src_gen.entity_id 1310 _entity_src_gen.gene_src_common_name "Homo sapiens" # _struct_ref.id 1 _struct_ref.entity_id 1310 _struct_ref.db_name UniProt _struct_ref.db_code P30566 _struct_ref.details http://www.uniprot.org/uniprot/P30566 # _citation.id 424 _citation.title "Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase." _citation.year "2018 Dec 20" _citation.pdbx_database_id_DOI 10.1038/s41598-018-36195-5 _citation.pdbx_database_id_PubMed 30573755 _citation.journal_abbrev "Sci Rep" _citation.journal_volume 8 _citation.journal_issue 1 _citation.page_first 18008 # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 424 1 "Van Laer B" 424 2 "Kapp U" 424 3 "Soler-Lopez M" 424 4 "Moczulska K" 424 5 "Pääbo S" 424 6 "Leonard G" # _pdbx_contact_author.id 319 _pdbx_contact_author.name_first Bart _pdbx_contact_author.name_last "Van Laer" _pdbx_contact_author.role . _pdbx_contact_author.address_1 ESRF _pdbx_contact_author.address_2 "European Synchrotron Radiation Facility" _pdbx_contact_author.address_3 "Grenoble, France" # loop_ _sas_scan_intensity.id _sas_scan_intensity.momentum_transfer _sas_scan_intensity.intensity _sas_scan_intensity.intensity_su_counting _sas_scan_intensity.scan_id 1 4.673647E-02 1.511462E+02 9.464483E-01 1135 2 5.146200E-02 1.523292E+02 7.250130E-01 1135 3 5.618753E-02 1.510978E+02 5.983712E-01 1135 4 6.091306E-02 1.507752E+02 5.085514E-01 1135 5 6.563859E-02 1.512743E+02 4.526515E-01 1135 6 7.036412E-02 1.509853E+02 4.088905E-01 1135 7 7.508965E-02 1.498451E+02 3.751860E-01 1135 8 7.981518E-02 1.491119E+02 3.498882E-01 1135 9 8.454071E-02 1.488943E+02 3.298610E-01 1135 10 8.926623E-02 1.483523E+02 3.119915E-01 1135 11 9.399176E-02 1.477613E+02 2.968625E-01 1135 12 9.871729E-02 1.471806E+02 2.844164E-01 1135 13 1.034428E-01 1.465131E+02 2.733660E-01 1135 14 1.081684E-01 1.459005E+02 2.634213E-01 1135 15 1.128939E-01 1.450107E+02 2.542486E-01 1135 16 1.176194E-01 1.441768E+02 2.465386E-01 1135 17 1.223449E-01 1.438559E+02 2.399071E-01 1135 18 1.270705E-01 1.429901E+02 2.331669E-01 1135 19 1.317960E-01 1.424247E+02 2.269642E-01 1135 20 1.365215E-01 1.419913E+02 2.221262E-01 1135 21 1.412471E-01 1.412053E+02 2.170925E-01 1135 22 1.459726E-01 1.404701E+02 2.121605E-01 1135 23 1.506981E-01 1.395620E+02 2.070745E-01 1135 24 1.554236E-01 1.382140E+02 2.025804E-01 1135 25 1.601492E-01 1.372073E+02 1.985016E-01 1135 26 1.648747E-01 1.365805E+02 1.948264E-01 1135 27 1.696002E-01 1.353914E+02 1.904716E-01 1135 28 1.743258E-01 1.343588E+02 1.870156E-01 1135 29 1.790513E-01 1.335468E+02 1.837708E-01 1135 30 1.837768E-01 1.323333E+02 1.804454E-01 1135 31 1.885023E-01 1.311716E+02 1.768002E-01 1135 32 1.932279E-01 1.300075E+02 1.737993E-01 1135 33 1.979534E-01 1.289233E+02 1.708924E-01 1135 34 2.026789E-01 1.280729E+02 1.682550E-01 1135 35 2.074045E-01 1.269417E+02 1.652230E-01 1135 36 2.121300E-01 1.258004E+02 1.626864E-01 1135 37 2.168555E-01 1.244898E+02 1.601183E-01 1135 38 2.215810E-01 1.233719E+02 1.576493E-01 1135 39 2.263066E-01 1.222074E+02 1.549821E-01 1135 40 2.310321E-01 1.210784E+02 1.526107E-01 1135 41 2.357576E-01 1.195970E+02 1.501783E-01 1135 42 2.404832E-01 1.184267E+02 1.479880E-01 1135 43 2.452087E-01 1.172670E+02 1.456760E-01 1135 44 2.499342E-01 1.159357E+02 1.434195E-01 1135 45 2.546598E-01 1.148014E+02 1.414021E-01 1135 46 2.593853E-01 1.134333E+02 1.393230E-01 1135 47 2.641108E-01 1.120677E+02 1.371148E-01 1135 48 2.688363E-01 1.108731E+02 1.351037E-01 1135 49 2.735619E-01 1.091717E+02 1.329820E-01 1135 50 2.782874E-01 1.078239E+02 1.311000E-01 1135 51 2.830129E-01 1.067264E+02 1.293005E-01 1135 52 2.877385E-01 1.054592E+02 1.274619E-01 1135 53 2.924640E-01 1.042712E+02 1.257693E-01 1135 54 2.971895E-01 1.028350E+02 1.239944E-01 1135 55 3.019150E-01 1.013718E+02 1.221378E-01 1135 56 3.066406E-01 1.002581E+02 1.204284E-01 1135 57 3.113661E-01 9.875289E+01 1.186988E-01 1135 58 3.160916E-01 9.734945E+01 1.170200E-01 1135 59 3.208172E-01 9.608559E+01 1.154153E-01 1135 60 3.255427E-01 9.499449E+01 1.140801E-01 1135 61 3.302682E-01 9.327214E+01 1.147106E-01 1135 62 3.349937E-01 9.168151E+01 1.145482E-01 1135 63 3.397193E-01 9.034138E+01 1.141083E-01 1135 64 3.444448E-01 8.931189E+01 1.137923E-01 1135 65 3.491703E-01 8.789452E+01 1.156596E-01 1135 66 3.538959E-01 8.646372E+01 1.165516E-01 1135 67 3.586214E-01 8.513049E+01 1.169866E-01 1135 68 3.633469E-01 8.381684E+01 1.171492E-01 1135 69 3.680724E-01 8.232129E+01 1.170890E-01 1135 70 3.727980E-01 8.109901E+01 1.171390E-01 1135 71 3.775235E-01 7.952864E+01 1.166399E-01 1135 72 3.822490E-01 7.846233E+01 1.164558E-01 1135 73 3.869746E-01 7.706820E+01 1.160933E-01 1135 74 3.917001E-01 7.586883E+01 1.157350E-01 1135 75 3.964256E-01 7.469056E+01 1.175375E-01 1135 76 4.011511E-01 7.314562E+01 1.200532E-01 1135 77 4.058767E-01 7.167020E+01 1.215046E-01 1135 78 4.106022E-01 7.031654E+01 1.227607E-01 1135 79 4.153277E-01 6.892871E+01 1.237756E-01 1135 80 4.200533E-01 6.742503E+01 1.244502E-01 1135 81 4.247788E-01 6.614457E+01 1.252324E-01 1135 82 4.295043E-01 6.503066E+01 1.260833E-01 1135 83 4.342299E-01 6.350149E+01 1.267165E-01 1135 84 4.389554E-01 6.213944E+01 1.273968E-01 1135 85 4.436809E-01 6.081143E+01 1.278341E-01 1135 86 4.484064E-01 5.968026E+01 1.283864E-01 1135 87 4.531320E-01 5.823651E+01 1.284702E-01 1135 88 4.578575E-01 5.701731E+01 1.281827E-01 1135 89 4.625830E-01 5.632698E+01 1.227217E-01 1135 90 4.673086E-01 5.545504E+01 1.189766E-01 1135 91 4.720341E-01 5.414279E+01 1.160762E-01 1135 92 4.767596E-01 5.274507E+01 1.135036E-01 1135 93 4.814851E-01 5.176497E+01 1.114834E-01 1135 94 4.862107E-01 5.051999E+01 1.095198E-01 1135 95 4.909362E-01 4.939034E+01 1.077695E-01 1135 96 4.956617E-01 4.838575E+01 1.061570E-01 1135 97 5.003873E-01 4.727881E+01 1.044630E-01 1135 98 5.051128E-01 4.608419E+01 1.028605E-01 1135 99 5.098383E-01 4.502029E+01 1.014067E-01 1135 100 5.145638E-01 4.393382E+01 9.977123E-02 1135 101 5.192894E-01 4.289011E+01 9.792190E-02 1135 102 5.240149E-01 4.179571E+01 9.615588E-02 1135 103 5.287404E-01 4.080458E+01 9.452723E-02 1135 104 5.334660E-01 3.992154E+01 9.304339E-02 1135 105 5.381915E-01 3.880360E+01 9.124404E-02 1135 106 5.429170E-01 3.786411E+01 8.970991E-02 1135 107 5.476425E-01 3.697185E+01 8.837082E-02 1135 108 5.523681E-01 3.607161E+01 8.691391E-02 1135 109 5.570936E-01 3.500718E+01 8.528496E-02 1135 110 5.618191E-01 3.417599E+01 8.393421E-02 1135 111 5.665447E-01 3.326198E+01 8.270502E-02 1135 112 5.712702E-01 3.246985E+01 8.169236E-02 1135 113 5.759957E-01 3.156342E+01 8.054994E-02 1135 114 5.807213E-01 3.067363E+01 7.949672E-02 1135 115 5.854468E-01 2.976297E+01 7.830123E-02 1135 116 5.901723E-01 2.897367E+01 7.732369E-02 1135 117 5.948978E-01 2.817493E+01 7.625791E-02 1135 118 5.996234E-01 2.737366E+01 7.525977E-02 1135 119 6.043489E-01 2.669274E+01 7.433362E-02 1135 120 6.090744E-01 2.596780E+01 7.342174E-02 1135 121 6.138000E-01 2.518675E+01 7.235268E-02 1135 122 6.185255E-01 2.447202E+01 7.144971E-02 1135 123 6.232510E-01 2.379426E+01 7.051896E-02 1135 124 6.279765E-01 2.310261E+01 6.957136E-02 1135 125 6.327021E-01 2.234439E+01 6.857606E-02 1135 126 6.374276E-01 2.157063E+01 6.757030E-02 1135 127 6.421531E-01 2.101999E+01 6.672679E-02 1135 128 6.468787E-01 2.039438E+01 6.582134E-02 1135 129 6.516042E-01 1.974699E+01 6.490669E-02 1135 130 6.563297E-01 1.912573E+01 6.401426E-02 1135 131 6.610552E-01 1.847954E+01 6.312664E-02 1135 132 6.657808E-01 1.804605E+01 6.244606E-02 1135 133 6.705063E-01 1.751391E+01 6.168079E-02 1135 134 6.752318E-01 1.693178E+01 6.081801E-02 1135 135 6.799574E-01 1.637060E+01 6.003139E-02 1135 136 6.846829E-01 1.584269E+01 5.922177E-02 1135 137 6.894084E-01 1.535855E+01 5.852763E-02 1135 138 6.941339E-01 1.470577E+01 5.753458E-02 1135 139 6.988595E-01 1.428584E+01 5.685278E-02 1135 140 7.035850E-01 1.390097E+01 5.628540E-02 1135 141 7.083105E-01 1.339379E+01 5.549850E-02 1135 142 7.130361E-01 1.304207E+01 5.482159E-02 1135 143 7.177616E-01 1.260286E+01 5.419050E-02 1135 144 7.224871E-01 1.211376E+01 5.343008E-02 1135 145 7.272127E-01 1.169569E+01 5.279569E-02 1135 146 7.319382E-01 1.125714E+01 5.204907E-02 1135 147 7.366637E-01 1.103908E+01 5.160950E-02 1135 148 7.413892E-01 1.054093E+01 5.086950E-02 1135 149 7.461148E-01 1.013804E+01 5.025350E-02 1135 150 7.508403E-01 9.927746E+00 4.978725E-02 1135 151 7.555658E-01 9.564244E+00 4.911364E-02 1135 152 7.602914E-01 9.305106E+00 4.865815E-02 1135 153 7.650169E-01 8.901152E+00 4.800669E-02 1135 154 7.697424E-01 8.597011E+00 4.747120E-02 1135 155 7.744679E-01 8.325649E+00 4.697323E-02 1135 156 7.791935E-01 8.025091E+00 4.647071E-02 1135 157 7.839190E-01 7.653985E+00 4.585672E-02 1135 158 7.886445E-01 7.432706E+00 4.538978E-02 1135 159 7.933701E-01 7.216345E+00 4.500608E-02 1135 160 7.980956E-01 7.013354E+00 4.461263E-02 1135 161 8.028211E-01 6.754586E+00 4.418549E-02 1135 162 8.075466E-01 6.497591E+00 4.364247E-02 1135 163 8.122722E-01 6.262609E+00 4.324379E-02 1135 164 8.169977E-01 6.070202E+00 4.287274E-02 1135 165 8.217232E-01 5.826449E+00 4.237856E-02 1135 166 8.264488E-01 5.581359E+00 4.192082E-02 1135 167 8.311743E-01 5.477684E+00 4.162640E-02 1135 168 8.358998E-01 5.283306E+00 4.125966E-02 1135 169 8.406253E-01 5.097114E+00 4.089243E-02 1135 170 8.453509E-01 4.922274E+00 4.053498E-02 1135 171 8.500764E-01 4.766106E+00 4.013311E-02 1135 172 8.548019E-01 4.560935E+00 3.982359E-02 1135 173 8.595275E-01 4.395410E+00 3.949747E-02 1135 174 8.642530E-01 4.239376E+00 3.914726E-02 1135 175 8.689785E-01 4.126825E+00 3.882473E-02 1135 176 8.737041E-01 4.004730E+00 3.856537E-02 1135 177 8.784296E-01 3.891742E+00 3.837841E-02 1135 178 8.831551E-01 3.769415E+00 3.810140E-02 1135 179 8.878806E-01 3.644086E+00 3.777765E-02 1135 180 8.926062E-01 3.548530E+00 3.754772E-02 1135 181 8.973317E-01 3.414248E+00 3.728146E-02 1135 182 9.020572E-01 3.339559E+00 3.706931E-02 1135 183 9.067828E-01 3.214303E+00 3.682386E-02 1135 184 9.115083E-01 3.111038E+00 3.654060E-02 1135 185 9.162338E-01 3.019184E+00 3.633727E-02 1135 186 9.209593E-01 2.897972E+00 3.607243E-02 1135 187 9.256849E-01 2.828179E+00 3.585370E-02 1135 188 9.304104E-01 2.756895E+00 3.570075E-02 1135 189 9.351359E-01 2.664633E+00 3.548599E-02 1135 190 9.398615E-01 2.635415E+00 3.535715E-02 1135 191 9.445870E-01 2.506317E+00 3.500186E-02 1135 192 9.493125E-01 2.495985E+00 3.495745E-02 1135 193 9.540380E-01 2.424401E+00 3.480561E-02 1135 194 9.587636E-01 2.328021E+00 3.459024E-02 1135 195 9.634891E-01 2.282154E+00 3.449402E-02 1135 196 9.682146E-01 2.221362E+00 3.427093E-02 1135 197 9.729402E-01 2.174137E+00 3.411374E-02 1135 198 9.776657E-01 2.139414E+00 3.397692E-02 1135 199 9.823912E-01 2.059806E+00 3.377733E-02 1135 200 9.871167E-01 1.989154E+00 3.365031E-02 1135 201 9.918423E-01 1.964720E+00 3.358124E-02 1135 202 9.965678E-01 1.919454E+00 3.341226E-02 1135 203 1.001293E+00 1.823785E+00 3.317970E-02 1135 204 1.006019E+00 1.818840E+00 3.312749E-02 1135 205 1.010744E+00 1.818058E+00 3.298753E-02 1135 206 1.015470E+00 1.808369E+00 3.295887E-02 1135 207 1.020195E+00 1.773389E+00 3.283246E-02 1135 208 1.024921E+00 1.731166E+00 3.268958E-02 1135 209 1.029647E+00 1.665406E+00 3.259222E-02 1135 210 1.034372E+00 1.680457E+00 3.246676E-02 1135 211 1.039098E+00 1.611037E+00 3.232593E-02 1135 212 1.043823E+00 1.576304E+00 3.223263E-02 1135 213 1.048549E+00 1.567361E+00 3.213592E-02 1135 214 1.053274E+00 1.492081E+00 3.197484E-02 1135 215 1.058000E+00 1.475968E+00 3.189715E-02 1135 216 1.062725E+00 1.487432E+00 3.188309E-02 1135 217 1.067451E+00 1.477881E+00 3.180014E-02 1135 218 1.072176E+00 1.448095E+00 3.169134E-02 1135 219 1.076902E+00 1.438924E+00 3.160733E-02 1135 220 1.081627E+00 1.435666E+00 3.155098E-02 1135 221 1.086353E+00 1.392024E+00 3.147875E-02 1135 222 1.091078E+00 1.384917E+00 3.136735E-02 1135 223 1.095804E+00 1.372087E+00 3.126441E-02 1135 224 1.100529E+00 1.326016E+00 3.112168E-02 1135 225 1.105255E+00 1.355264E+00 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3.657041E+00 1.268192E-01 2.280780E-02 1135 766 3.661766E+00 1.063705E-01 2.284078E-02 1135 767 3.666492E+00 1.203148E-01 2.299333E-02 1135 768 3.671217E+00 1.234444E-01 2.307186E-02 1135 769 3.675943E+00 1.294399E-01 2.322689E-02 1135 770 3.680668E+00 1.782223E-01 2.338669E-02 1135 771 3.685394E+00 1.458951E-01 2.347254E-02 1135 772 3.690119E+00 1.497742E-01 2.356757E-02 1135 773 3.694845E+00 1.243542E-01 2.359370E-02 1135 774 3.699570E+00 1.107245E-01 2.369644E-02 1135 775 3.704296E+00 1.488261E-01 2.387407E-02 1135 776 3.709021E+00 1.504698E-01 2.398989E-02 1135 777 3.713747E+00 1.518733E-01 2.406837E-02 1135 778 3.718473E+00 1.625615E-01 2.414660E-02 1135 779 3.723198E+00 1.270209E-01 2.419438E-02 1135 780 3.727924E+00 1.037430E-01 2.427047E-02 1135 781 3.732649E+00 1.157264E-01 2.439546E-02 1135 782 3.737375E+00 1.152179E-01 2.446009E-02 1135 783 3.742100E+00 1.482619E-01 2.460142E-02 1135 784 3.746826E+00 1.703459E-01 2.469832E-02 1135 785 3.751551E+00 1.504554E-01 2.475755E-02 1135 786 3.756277E+00 1.383545E-01 2.485261E-02 1135 787 3.761002E+00 1.257107E-01 2.493193E-02 1135 788 3.765728E+00 1.412238E-01 2.505624E-02 1135 789 3.770453E+00 1.357469E-01 2.514904E-02 1135 790 3.775179E+00 1.433407E-01 2.524708E-02 1135 791 3.779904E+00 1.692507E-01 2.535279E-02 1135 792 3.784630E+00 1.272837E-01 2.538695E-02 1135 793 3.789355E+00 1.270312E-01 2.550044E-02 1135 794 3.794081E+00 1.346974E-01 2.561251E-02 1135 795 3.798807E+00 1.416344E-01 2.568874E-02 1135 796 3.803532E+00 1.418418E-01 2.580359E-02 1135 #