data_SASDEL5_MAIN # _sas_result.id 1139 _sas_result.SASBDB_code SASDEL5 _sas_result.experimental_MW 165.000 _sas_result.experimental_MW_error . _sas_result.MW_standard . _sas_result.MW_standard_error . _sas_result.MW_Porod 182.000 _sas_result.MW_Porod_error . _sas_result.I0_from_PR . _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 153.2800000000 _sas_result.I0_from_Guinier_error 0.0600000000 _sas_result.Rg_from_PR . _sas_result.Rg_from_PR_error . _sas_result.Rg_from_Guinier 3.680 _sas_result.Rg_from_Guinier_error . _sas_result.D_max . _sas_result.Porod_volume 291.00 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 1 _sas_result.Guinier_point_max 60 _sas_result.type_of_curve single_conc _sas_result.standard . _sas_result.Dmax_error . _sas_result.comments . # _sas_scan.title "AICAR-bound human adenylosuccinate lyase (ADSL)" _sas_scan.detc_id 16 _sas_scan.id 1139 _sas_scan.measurement_date 2016-07-24 _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 0.0751 _sas_scan.qmax 4.0398 _sas_scan.sample_id 1100 _sas_scan.result_id 1139 _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 1100 _sas_sample.name "AICAR-bound 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 690 _sas_buffer.name "10 mM HEPES, 100 mM NaCl, 1 mM DTT, 1 mM 5-aminoimidazole-4-carboxamide ribonucleotide (AICAR)" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 7.500 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 1100 # _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 7.508965E-02 1.494773E+02 3.767978E-01 1139 2 7.981518E-02 1.486965E+02 3.511001E-01 1139 3 8.454071E-02 1.477425E+02 3.302422E-01 1139 4 8.926623E-02 1.474628E+02 3.122868E-01 1139 5 9.399176E-02 1.468216E+02 2.969443E-01 1139 6 9.871729E-02 1.468855E+02 2.848619E-01 1139 7 1.034428E-01 1.459221E+02 2.735291E-01 1139 8 1.081684E-01 1.449529E+02 2.633040E-01 1139 9 1.128939E-01 1.446096E+02 2.543850E-01 1139 10 1.176194E-01 1.439409E+02 2.468946E-01 1139 11 1.223449E-01 1.427948E+02 2.396062E-01 1139 12 1.270705E-01 1.418157E+02 2.327459E-01 1139 13 1.317960E-01 1.415360E+02 2.267279E-01 1139 14 1.365215E-01 1.412421E+02 2.219669E-01 1139 15 1.412471E-01 1.400325E+02 2.166858E-01 1139 16 1.459726E-01 1.393287E+02 2.117535E-01 1139 17 1.506981E-01 1.384094E+02 2.066455E-01 1139 18 1.554236E-01 1.374788E+02 2.024413E-01 1139 19 1.601492E-01 1.367761E+02 1.984925E-01 1139 20 1.648747E-01 1.357963E+02 1.946155E-01 1139 21 1.696002E-01 1.346527E+02 1.903062E-01 1139 22 1.743258E-01 1.336697E+02 1.868520E-01 1139 23 1.790513E-01 1.325627E+02 1.834204E-01 1139 24 1.837768E-01 1.316012E+02 1.802587E-01 1139 25 1.885023E-01 1.304510E+02 1.766559E-01 1139 26 1.932279E-01 1.296372E+02 1.738203E-01 1139 27 1.979534E-01 1.284310E+02 1.708562E-01 1139 28 2.026789E-01 1.271730E+02 1.679566E-01 1139 29 2.074045E-01 1.265017E+02 1.651915E-01 1139 30 2.121300E-01 1.255903E+02 1.628338E-01 1139 31 2.168555E-01 1.242684E+02 1.601953E-01 1139 32 2.215810E-01 1.229903E+02 1.576709E-01 1139 33 2.263066E-01 1.216729E+02 1.548869E-01 1139 34 2.310321E-01 1.204066E+02 1.524416E-01 1139 35 2.357576E-01 1.194282E+02 1.503080E-01 1139 36 2.404832E-01 1.184061E+02 1.481871E-01 1139 37 2.452087E-01 1.168613E+02 1.456419E-01 1139 38 2.499342E-01 1.155121E+02 1.433421E-01 1139 39 2.546598E-01 1.144751E+02 1.413881E-01 1139 40 2.593853E-01 1.130396E+02 1.392856E-01 1139 41 2.641108E-01 1.116428E+02 1.370844E-01 1139 42 2.688363E-01 1.103944E+02 1.350328E-01 1139 43 2.735619E-01 1.092669E+02 1.332363E-01 1139 44 2.782874E-01 1.079475E+02 1.313471E-01 1139 45 2.830129E-01 1.067073E+02 1.294787E-01 1139 46 2.877385E-01 1.054300E+02 1.276119E-01 1139 47 2.924640E-01 1.041831E+02 1.259124E-01 1139 48 2.971895E-01 1.028148E+02 1.241371E-01 1139 49 3.019150E-01 1.013859E+02 1.222879E-01 1139 50 3.066406E-01 1.000466E+02 1.204831E-01 1139 51 3.113661E-01 9.878863E+01 1.188770E-01 1139 52 3.160916E-01 9.736522E+01 1.172053E-01 1139 53 3.208172E-01 9.610082E+01 1.156052E-01 1139 54 3.255427E-01 9.511763E+01 1.143261E-01 1139 55 3.302682E-01 9.352621E+01 1.150314E-01 1139 56 3.349937E-01 9.237045E+01 1.150943E-01 1139 57 3.397193E-01 9.083450E+01 1.145308E-01 1139 58 3.444448E-01 8.988647E+01 1.142788E-01 1139 59 3.491703E-01 8.855550E+01 1.162167E-01 1139 60 3.538959E-01 8.704977E+01 1.170715E-01 1139 61 3.586214E-01 8.567509E+01 1.174849E-01 1139 62 3.633469E-01 8.438621E+01 1.177038E-01 1139 63 3.680724E-01 8.292867E+01 1.176174E-01 1139 64 3.727980E-01 8.172487E+01 1.176936E-01 1139 65 3.775235E-01 8.021815E+01 1.172332E-01 1139 66 3.822490E-01 7.879374E+01 1.168319E-01 1139 67 3.869746E-01 7.771086E+01 1.166912E-01 1139 68 3.917001E-01 7.679550E+01 1.165096E-01 1139 69 3.964256E-01 7.540710E+01 1.181669E-01 1139 70 4.011511E-01 7.382330E+01 1.207358E-01 1139 71 4.058767E-01 7.248494E+01 1.222619E-01 1139 72 4.106022E-01 7.111815E+01 1.235242E-01 1139 73 4.153277E-01 6.972954E+01 1.246108E-01 1139 74 4.200533E-01 6.850328E+01 1.255049E-01 1139 75 4.247788E-01 6.706008E+01 1.261968E-01 1139 76 4.295043E-01 6.577453E+01 1.269436E-01 1139 77 4.342299E-01 6.434557E+01 1.276200E-01 1139 78 4.389554E-01 6.307436E+01 1.284228E-01 1139 79 4.436809E-01 6.189775E+01 1.290386E-01 1139 80 4.484064E-01 6.041156E+01 1.292944E-01 1139 81 4.531320E-01 5.913976E+01 1.295372E-01 1139 82 4.578575E-01 5.783653E+01 1.291550E-01 1139 83 4.625830E-01 5.742782E+01 1.239965E-01 1139 84 4.673086E-01 5.633512E+01 1.199791E-01 1139 85 4.720341E-01 5.503007E+01 1.170324E-01 1139 86 4.767596E-01 5.389024E+01 1.147076E-01 1139 87 4.814851E-01 5.272592E+01 1.125502E-01 1139 88 4.862107E-01 5.154545E+01 1.105865E-01 1139 89 4.909362E-01 5.059781E+01 1.090392E-01 1139 90 4.956617E-01 4.942652E+01 1.072980E-01 1139 91 5.003873E-01 4.835665E+01 1.056268E-01 1139 92 5.051128E-01 4.708909E+01 1.039668E-01 1139 93 5.098383E-01 4.595269E+01 1.024112E-01 1139 94 5.145638E-01 4.504857E+01 1.009216E-01 1139 95 5.192894E-01 4.400204E+01 9.911291E-02 1139 96 5.240149E-01 4.288028E+01 9.733431E-02 1139 97 5.287404E-01 4.193597E+01 9.574474E-02 1139 98 5.334660E-01 4.112958E+01 9.429351E-02 1139 99 5.381915E-01 3.992556E+01 9.243716E-02 1139 100 5.429170E-01 3.906668E+01 9.105834E-02 1139 101 5.476425E-01 3.801119E+01 8.943977E-02 1139 102 5.523681E-01 3.716150E+01 8.804753E-02 1139 103 5.570936E-01 3.610440E+01 8.645968E-02 1139 104 5.618191E-01 3.519222E+01 8.507424E-02 1139 105 5.665447E-01 3.455713E+01 8.410475E-02 1139 106 5.712702E-01 3.360173E+01 8.300179E-02 1139 107 5.759957E-01 3.266278E+01 8.177732E-02 1139 108 5.807213E-01 3.176944E+01 8.069198E-02 1139 109 5.854468E-01 3.099979E+01 7.971545E-02 1139 110 5.901723E-01 3.011692E+01 7.858763E-02 1139 111 5.948978E-01 2.935516E+01 7.754143E-02 1139 112 5.996234E-01 2.852790E+01 7.647206E-02 1139 113 6.043489E-01 2.774319E+01 7.552431E-02 1139 114 6.090744E-01 2.701002E+01 7.463675E-02 1139 115 6.138000E-01 2.613939E+01 7.349900E-02 1139 116 6.185255E-01 2.544197E+01 7.261725E-02 1139 117 6.232510E-01 2.482701E+01 7.175988E-02 1139 118 6.279765E-01 2.410664E+01 7.076429E-02 1139 119 6.327021E-01 2.338965E+01 6.981708E-02 1139 120 6.374276E-01 2.273841E+01 6.890565E-02 1139 121 6.421531E-01 2.216322E+01 6.809877E-02 1139 122 6.468787E-01 2.147895E+01 6.716250E-02 1139 123 6.516042E-01 2.085005E+01 6.632893E-02 1139 124 6.563297E-01 2.021921E+01 6.542045E-02 1139 125 6.610552E-01 1.956656E+01 6.450415E-02 1139 126 6.657808E-01 1.898064E+01 6.369166E-02 1139 127 6.705063E-01 1.844267E+01 6.289243E-02 1139 128 6.752318E-01 1.790019E+01 6.204791E-02 1139 129 6.799574E-01 1.735811E+01 6.127864E-02 1139 130 6.846829E-01 1.686070E+01 6.055872E-02 1139 131 6.894084E-01 1.624254E+01 5.967192E-02 1139 132 6.941339E-01 1.568859E+01 5.880302E-02 1139 133 6.988595E-01 1.526278E+01 5.820030E-02 1139 134 7.035850E-01 1.476161E+01 5.744231E-02 1139 135 7.083105E-01 1.427230E+01 5.668808E-02 1139 136 7.130361E-01 1.391742E+01 5.610717E-02 1139 137 7.177616E-01 1.344182E+01 5.537601E-02 1139 138 7.224871E-01 1.290146E+01 5.454739E-02 1139 139 7.272127E-01 1.251364E+01 5.396257E-02 1139 140 7.319382E-01 1.215798E+01 5.330777E-02 1139 141 7.366637E-01 1.169499E+01 5.260590E-02 1139 142 7.413892E-01 1.133086E+01 5.200283E-02 1139 143 7.461148E-01 1.098988E+01 5.147092E-02 1139 144 7.508403E-01 1.056598E+01 5.075183E-02 1139 145 7.555658E-01 1.026650E+01 5.024210E-02 1139 146 7.602914E-01 9.932284E+00 4.966890E-02 1139 147 7.650169E-01 9.670047E+00 4.920850E-02 1139 148 7.697424E-01 9.256429E+00 4.846960E-02 1139 149 7.744679E-01 8.964521E+00 4.795066E-02 1139 150 7.791935E-01 8.699779E+00 4.753711E-02 1139 151 7.839190E-01 8.407212E+00 4.698155E-02 1139 152 7.886445E-01 8.118894E+00 4.648192E-02 1139 153 7.933701E-01 7.856814E+00 4.597443E-02 1139 154 7.980956E-01 7.574396E+00 4.552584E-02 1139 155 8.028211E-01 7.334344E+00 4.514891E-02 1139 156 8.075466E-01 7.103349E+00 4.464392E-02 1139 157 8.122722E-01 6.844059E+00 4.422000E-02 1139 158 8.169977E-01 6.633053E+00 4.374070E-02 1139 159 8.217232E-01 6.378347E+00 4.323353E-02 1139 160 8.264488E-01 6.136089E+00 4.284678E-02 1139 161 8.311743E-01 5.948702E+00 4.247983E-02 1139 162 8.358998E-01 5.708942E+00 4.201121E-02 1139 163 8.406253E-01 5.598704E+00 4.171028E-02 1139 164 8.453509E-01 5.438330E+00 4.139440E-02 1139 165 8.500764E-01 5.184545E+00 4.092124E-02 1139 166 8.548019E-01 5.012506E+00 4.054489E-02 1139 167 8.595275E-01 4.883251E+00 4.024987E-02 1139 168 8.642530E-01 4.719762E+00 3.989989E-02 1139 169 8.689785E-01 4.500683E+00 3.954711E-02 1139 170 8.737041E-01 4.332687E+00 3.921622E-02 1139 171 8.784296E-01 4.252570E+00 3.896789E-02 1139 172 8.831551E-01 4.097528E+00 3.862828E-02 1139 173 8.878806E-01 4.006876E+00 3.834191E-02 1139 174 8.926062E-01 3.893711E+00 3.816124E-02 1139 175 8.973317E-01 3.739732E+00 3.787043E-02 1139 176 9.020572E-01 3.645325E+00 3.765913E-02 1139 177 9.067828E-01 3.559111E+00 3.742034E-02 1139 178 9.115083E-01 3.389485E+00 3.712225E-02 1139 179 9.162338E-01 3.298295E+00 3.688106E-02 1139 180 9.209593E-01 3.242286E+00 3.669049E-02 1139 181 9.256849E-01 3.195590E+00 3.648316E-02 1139 182 9.304104E-01 2.985707E+00 3.614569E-02 1139 183 9.351359E-01 2.924128E+00 3.591769E-02 1139 184 9.398615E-01 2.881082E+00 3.578786E-02 1139 185 9.445870E-01 2.772159E+00 3.558741E-02 1139 186 9.493125E-01 2.680149E+00 3.534958E-02 1139 187 9.540380E-01 2.604266E+00 3.514967E-02 1139 188 9.587636E-01 2.522561E+00 3.499675E-02 1139 189 9.634891E-01 2.465771E+00 3.481198E-02 1139 190 9.682146E-01 2.404886E+00 3.457480E-02 1139 191 9.729402E-01 2.386040E+00 3.453808E-02 1139 192 9.776657E-01 2.306121E+00 3.435998E-02 1139 193 9.823912E-01 2.243371E+00 3.414953E-02 1139 194 9.871167E-01 2.209842E+00 3.405498E-02 1139 195 9.918423E-01 2.158793E+00 3.384603E-02 1139 196 9.965678E-01 2.118517E+00 3.374747E-02 1139 197 1.001293E+00 2.037119E+00 3.356218E-02 1139 198 1.006019E+00 2.038970E+00 3.348123E-02 1139 199 1.010744E+00 1.961956E+00 3.331145E-02 1139 200 1.015470E+00 1.954612E+00 3.326823E-02 1139 201 1.020195E+00 1.913449E+00 3.310749E-02 1139 202 1.024921E+00 1.864533E+00 3.298546E-02 1139 203 1.029647E+00 1.804006E+00 3.277956E-02 1139 204 1.034372E+00 1.767927E+00 3.265781E-02 1139 205 1.039098E+00 1.704174E+00 3.252295E-02 1139 206 1.043823E+00 1.712950E+00 3.245653E-02 1139 207 1.048549E+00 1.670266E+00 3.237134E-02 1139 208 1.053274E+00 1.617843E+00 3.221332E-02 1139 209 1.058000E+00 1.610065E+00 3.211962E-02 1139 210 1.062725E+00 1.562661E+00 3.201807E-02 1139 211 1.067451E+00 1.541733E+00 3.193543E-02 1139 212 1.072176E+00 1.556208E+00 3.186267E-02 1139 213 1.076902E+00 1.502689E+00 3.175449E-02 1139 214 1.081627E+00 1.516015E+00 3.171892E-02 1139 215 1.086353E+00 1.497823E+00 3.168910E-02 1139 216 1.091078E+00 1.473679E+00 3.154029E-02 1139 217 1.095804E+00 1.462235E+00 3.145926E-02 1139 218 1.100529E+00 1.389882E+00 3.124225E-02 1139 219 1.105255E+00 1.345497E+00 3.118881E-02 1139 220 1.109981E+00 1.359139E+00 3.114150E-02 1139 221 1.114706E+00 1.336468E+00 3.103841E-02 1139 222 1.119432E+00 1.352460E+00 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