data_SASDEK5_MAIN # _sas_result.id 1138 _sas_result.SASBDB_code SASDEK5 _sas_result.experimental_MW 188.000 _sas_result.experimental_MW_error . _sas_result.MW_standard . _sas_result.MW_standard_error . _sas_result.MW_Porod 183.000 _sas_result.MW_Porod_error . _sas_result.I0_from_PR . _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 153.0000000000 _sas_result.I0_from_Guinier_error 0.0500000000 _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 292.00 _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 61 _sas_result.type_of_curve single_conc _sas_result.standard . _sas_result.Dmax_error . _sas_result.comments . # _sas_scan.title "AMP-bound human adenylosuccinate lyase (ADSL)" _sas_scan.detc_id 16 _sas_scan.id 1138 _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 0.0704 _sas_scan.qmax 3.8035 _sas_scan.sample_id 1099 _sas_scan.result_id 1138 _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 1099 _sas_sample.name "AMP-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 689 _sas_buffer.name "10 mM HEPES, 100 mM NaCl, 1 mM DTT, 1 mM AMP" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 7.500 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 1099 # _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 7.036412E-02 1.498878E+02 3.907353E-01 1138 2 7.508965E-02 1.498996E+02 3.588077E-01 1138 3 7.981518E-02 1.486986E+02 3.338190E-01 1138 4 8.454071E-02 1.487567E+02 3.145500E-01 1138 5 8.926623E-02 1.479530E+02 2.970274E-01 1138 6 9.399176E-02 1.472729E+02 2.823306E-01 1138 7 9.871729E-02 1.465331E+02 2.702974E-01 1138 8 1.034428E-01 1.458268E+02 2.595729E-01 1138 9 1.081684E-01 1.452517E+02 2.501568E-01 1138 10 1.128939E-01 1.444478E+02 2.414140E-01 1138 11 1.176194E-01 1.438319E+02 2.341779E-01 1138 12 1.223449E-01 1.431090E+02 2.275035E-01 1138 13 1.270705E-01 1.418628E+02 2.208378E-01 1138 14 1.317960E-01 1.416828E+02 2.151121E-01 1138 15 1.365215E-01 1.413977E+02 2.105990E-01 1138 16 1.412471E-01 1.401182E+02 2.055255E-01 1138 17 1.459726E-01 1.394695E+02 2.009044E-01 1138 18 1.506981E-01 1.386695E+02 1.960907E-01 1138 19 1.554236E-01 1.376518E+02 1.919890E-01 1138 20 1.601492E-01 1.365489E+02 1.880425E-01 1138 21 1.648747E-01 1.358277E+02 1.844717E-01 1138 22 1.696002E-01 1.347327E+02 1.804151E-01 1138 23 1.743258E-01 1.339262E+02 1.772416E-01 1138 24 1.790513E-01 1.329662E+02 1.740649E-01 1138 25 1.837768E-01 1.320733E+02 1.711104E-01 1138 26 1.885023E-01 1.311025E+02 1.677754E-01 1138 27 1.932279E-01 1.296519E+02 1.647730E-01 1138 28 1.979534E-01 1.286958E+02 1.620611E-01 1138 29 2.026789E-01 1.276342E+02 1.594103E-01 1138 30 2.074045E-01 1.264319E+02 1.565021E-01 1138 31 2.121300E-01 1.255904E+02 1.542632E-01 1138 32 2.168555E-01 1.245017E+02 1.519473E-01 1138 33 2.215810E-01 1.233266E+02 1.495566E-01 1138 34 2.263066E-01 1.221363E+02 1.470453E-01 1138 35 2.310321E-01 1.208382E+02 1.447041E-01 1138 36 2.357576E-01 1.197654E+02 1.426024E-01 1138 37 2.404832E-01 1.185463E+02 1.405134E-01 1138 38 2.452087E-01 1.171706E+02 1.381979E-01 1138 39 2.499342E-01 1.158232E+02 1.360464E-01 1138 40 2.546598E-01 1.146883E+02 1.341189E-01 1138 41 2.593853E-01 1.132878E+02 1.321072E-01 1138 42 2.641108E-01 1.120630E+02 1.300979E-01 1138 43 2.688363E-01 1.108261E+02 1.281928E-01 1138 44 2.735619E-01 1.097259E+02 1.264888E-01 1138 45 2.782874E-01 1.082447E+02 1.246289E-01 1138 46 2.830129E-01 1.070150E+02 1.228556E-01 1138 47 2.877385E-01 1.057699E+02 1.211254E-01 1138 48 2.924640E-01 1.042196E+02 1.193338E-01 1138 49 2.971895E-01 1.030021E+02 1.177369E-01 1138 50 3.019150E-01 1.015426E+02 1.159903E-01 1138 51 3.066406E-01 1.004049E+02 1.143648E-01 1138 52 3.113661E-01 9.913483E+01 1.128567E-01 1138 53 3.160916E-01 9.765540E+01 1.112244E-01 1138 54 3.208172E-01 9.642334E+01 1.097322E-01 1138 55 3.255427E-01 9.541522E+01 1.084891E-01 1138 56 3.302682E-01 9.381829E+01 1.091642E-01 1138 57 3.349937E-01 9.239134E+01 1.091059E-01 1138 58 3.397193E-01 9.112242E+01 1.087253E-01 1138 59 3.444448E-01 8.993483E+01 1.083233E-01 1138 60 3.491703E-01 8.845468E+01 1.101023E-01 1138 61 3.538959E-01 8.708608E+01 1.110035E-01 1138 62 3.586214E-01 8.582291E+01 1.114322E-01 1138 63 3.633469E-01 8.443842E+01 1.115691E-01 1138 64 3.680724E-01 8.316897E+01 1.116686E-01 1138 65 3.727980E-01 8.171839E+01 1.115847E-01 1138 66 3.775235E-01 8.041007E+01 1.112772E-01 1138 67 3.822490E-01 7.920168E+01 1.110678E-01 1138 68 3.869746E-01 7.778487E+01 1.106847E-01 1138 69 3.917001E-01 7.675086E+01 1.104599E-01 1138 70 3.964256E-01 7.550558E+01 1.121592E-01 1138 71 4.011511E-01 7.392205E+01 1.145479E-01 1138 72 4.058767E-01 7.239329E+01 1.158918E-01 1138 73 4.106022E-01 7.096964E+01 1.170436E-01 1138 74 4.153277E-01 6.967791E+01 1.180967E-01 1138 75 4.200533E-01 6.848276E+01 1.189997E-01 1138 76 4.247788E-01 6.711628E+01 1.197063E-01 1138 77 4.295043E-01 6.583394E+01 1.204344E-01 1138 78 4.342299E-01 6.449418E+01 1.211567E-01 1138 79 4.389554E-01 6.321957E+01 1.218879E-01 1138 80 4.436809E-01 6.207653E+01 1.225081E-01 1138 81 4.484064E-01 6.065672E+01 1.228433E-01 1138 82 4.531320E-01 5.923109E+01 1.229325E-01 1138 83 4.578575E-01 5.798476E+01 1.226743E-01 1138 84 4.625830E-01 5.755906E+01 1.176993E-01 1138 85 4.673086E-01 5.632791E+01 1.137604E-01 1138 86 4.720341E-01 5.508718E+01 1.110874E-01 1138 87 4.767596E-01 5.386200E+01 1.088001E-01 1138 88 4.814851E-01 5.267618E+01 1.067380E-01 1138 89 4.862107E-01 5.152407E+01 1.049625E-01 1138 90 4.909362E-01 5.038310E+01 1.032777E-01 1138 91 4.956617E-01 4.939721E+01 1.017760E-01 1138 92 5.003873E-01 4.816166E+01 1.000715E-01 1138 93 5.051128E-01 4.711641E+01 9.871534E-02 1138 94 5.098383E-01 4.594188E+01 9.722511E-02 1138 95 5.145638E-01 4.497213E+01 9.579567E-02 1138 96 5.192894E-01 4.390094E+01 9.398591E-02 1138 97 5.240149E-01 4.281401E+01 9.230382E-02 1138 98 5.287404E-01 4.189950E+01 9.088737E-02 1138 99 5.334660E-01 4.086603E+01 8.930157E-02 1138 100 5.381915E-01 3.982368E+01 8.770957E-02 1138 101 5.429170E-01 3.887582E+01 8.628922E-02 1138 102 5.476425E-01 3.796302E+01 8.493243E-02 1138 103 5.523681E-01 3.704032E+01 8.353452E-02 1138 104 5.570936E-01 3.616852E+01 8.219424E-02 1138 105 5.618191E-01 3.520237E+01 8.084218E-02 1138 106 5.665447E-01 3.425882E+01 7.964512E-02 1138 107 5.712702E-01 3.347721E+01 7.870105E-02 1138 108 5.759957E-01 3.259514E+01 7.762248E-02 1138 109 5.807213E-01 3.170974E+01 7.660819E-02 1138 110 5.854468E-01 3.087573E+01 7.565424E-02 1138 111 5.901723E-01 3.011925E+01 7.471743E-02 1138 112 5.948978E-01 2.929796E+01 7.369836E-02 1138 113 5.996234E-01 2.843643E+01 7.270509E-02 1138 114 6.043489E-01 2.767789E+01 7.177146E-02 1138 115 6.090744E-01 2.691549E+01 7.087892E-02 1138 116 6.138000E-01 2.621524E+01 6.993547E-02 1138 117 6.185255E-01 2.544154E+01 6.903071E-02 1138 118 6.232510E-01 2.472042E+01 6.815191E-02 1138 119 6.279765E-01 2.399004E+01 6.722123E-02 1138 120 6.327021E-01 2.334894E+01 6.643421E-02 1138 121 6.374276E-01 2.265613E+01 6.550097E-02 1138 122 6.421531E-01 2.208983E+01 6.475314E-02 1138 123 6.468787E-01 2.133229E+01 6.377815E-02 1138 124 6.516042E-01 2.063543E+01 6.288388E-02 1138 125 6.563297E-01 2.006883E+01 6.213147E-02 1138 126 6.610552E-01 1.953162E+01 6.135443E-02 1138 127 6.657808E-01 1.890535E+01 6.054852E-02 1138 128 6.705063E-01 1.832951E+01 5.981100E-02 1138 129 6.752318E-01 1.782971E+01 5.903349E-02 1138 130 6.799574E-01 1.725804E+01 5.827844E-02 1138 131 6.846829E-01 1.670088E+01 5.754439E-02 1138 132 6.894084E-01 1.619699E+01 5.683720E-02 1138 133 6.941339E-01 1.572928E+01 5.612880E-02 1138 134 6.988595E-01 1.519989E+01 5.540620E-02 1138 135 7.035850E-01 1.471915E+01 5.472806E-02 1138 136 7.083105E-01 1.425135E+01 5.404952E-02 1138 137 7.130361E-01 1.380238E+01 5.332672E-02 1138 138 7.177616E-01 1.336158E+01 5.270462E-02 1138 139 7.224871E-01 1.297868E+01 5.209758E-02 1138 140 7.272127E-01 1.244499E+01 5.139792E-02 1138 141 7.319382E-01 1.210882E+01 5.081871E-02 1138 142 7.366637E-01 1.169433E+01 5.022637E-02 1138 143 7.413892E-01 1.137232E+01 4.973434E-02 1138 144 7.461148E-01 1.089642E+01 4.902187E-02 1138 145 7.508403E-01 1.051642E+01 4.841257E-02 1138 146 7.555658E-01 1.016041E+01 4.783544E-02 1138 147 7.602914E-01 9.834738E+00 4.732302E-02 1138 148 7.650169E-01 9.578455E+00 4.689126E-02 1138 149 7.697424E-01 9.234934E+00 4.630762E-02 1138 150 7.744679E-01 8.922443E+00 4.582294E-02 1138 151 7.791935E-01 8.663099E+00 4.537900E-02 1138 152 7.839190E-01 8.357411E+00 4.487719E-02 1138 153 7.886445E-01 8.090608E+00 4.441306E-02 1138 154 7.933701E-01 7.770475E+00 4.387864E-02 1138 155 7.980956E-01 7.485370E+00 4.344749E-02 1138 156 8.028211E-01 7.224952E+00 4.304190E-02 1138 157 8.075466E-01 6.934097E+00 4.248669E-02 1138 158 8.122722E-01 6.773143E+00 4.224302E-02 1138 159 8.169977E-01 6.486182E+00 4.170513E-02 1138 160 8.217232E-01 6.298419E+00 4.131937E-02 1138 161 8.264488E-01 6.121243E+00 4.099312E-02 1138 162 8.311743E-01 5.941551E+00 4.062482E-02 1138 163 8.358998E-01 5.700848E+00 4.024205E-02 1138 164 8.406253E-01 5.519522E+00 3.987174E-02 1138 165 8.453509E-01 5.367209E+00 3.959363E-02 1138 166 8.500764E-01 5.156625E+00 3.920246E-02 1138 167 8.548019E-01 4.982956E+00 3.894620E-02 1138 168 8.595275E-01 4.805532E+00 3.858248E-02 1138 169 8.642530E-01 4.630790E+00 3.824536E-02 1138 170 8.689785E-01 4.454857E+00 3.784526E-02 1138 171 8.737041E-01 4.324442E+00 3.755443E-02 1138 172 8.784296E-01 4.161360E+00 3.729935E-02 1138 173 8.831551E-01 4.031729E+00 3.705556E-02 1138 174 8.878806E-01 3.962469E+00 3.682467E-02 1138 175 8.926062E-01 3.829816E+00 3.654504E-02 1138 176 8.973317E-01 3.721621E+00 3.632624E-02 1138 177 9.020572E-01 3.551287E+00 3.598187E-02 1138 178 9.067828E-01 3.448504E+00 3.579863E-02 1138 179 9.115083E-01 3.365624E+00 3.557556E-02 1138 180 9.162338E-01 3.240317E+00 3.537262E-02 1138 181 9.209593E-01 3.199986E+00 3.519323E-02 1138 182 9.256849E-01 3.090381E+00 3.493358E-02 1138 183 9.304104E-01 3.008892E+00 3.474626E-02 1138 184 9.351359E-01 2.916451E+00 3.456377E-02 1138 185 9.398615E-01 2.773028E+00 3.426799E-02 1138 186 9.445870E-01 2.744064E+00 3.409715E-02 1138 187 9.493125E-01 2.653789E+00 3.391605E-02 1138 188 9.540380E-01 2.556009E+00 3.371743E-02 1138 189 9.587636E-01 2.516945E+00 3.362145E-02 1138 190 9.634891E-01 2.445069E+00 3.345534E-02 1138 191 9.682146E-01 2.394162E+00 3.328994E-02 1138 192 9.729402E-01 2.333982E+00 3.318200E-02 1138 193 9.776657E-01 2.269912E+00 3.298220E-02 1138 194 9.823912E-01 2.206092E+00 3.276194E-02 1138 195 9.871167E-01 2.121666E+00 3.264674E-02 1138 196 9.918423E-01 2.054963E+00 3.252289E-02 1138 197 9.965678E-01 2.014046E+00 3.234864E-02 1138 198 1.001293E+00 1.998972E+00 3.228004E-02 1138 199 1.006019E+00 1.940139E+00 3.219767E-02 1138 200 1.010744E+00 1.907572E+00 3.204817E-02 1138 201 1.015470E+00 1.886694E+00 3.192918E-02 1138 202 1.020195E+00 1.845442E+00 3.176233E-02 1138 203 1.024921E+00 1.790639E+00 3.163351E-02 1138 204 1.029647E+00 1.701390E+00 3.149913E-02 1138 205 1.034372E+00 1.757529E+00 3.142566E-02 1138 206 1.039098E+00 1.670641E+00 3.128815E-02 1138 207 1.043823E+00 1.640245E+00 3.123865E-02 1138 208 1.048549E+00 1.643339E+00 3.117034E-02 1138 209 1.053274E+00 1.601575E+00 3.102434E-02 1138 210 1.058000E+00 1.599990E+00 3.094069E-02 1138 211 1.062725E+00 1.567787E+00 3.088472E-02 1138 212 1.067451E+00 1.536456E+00 3.078091E-02 1138 213 1.072176E+00 1.526005E+00 3.067604E-02 1138 214 1.076902E+00 1.480952E+00 3.058598E-02 1138 215 1.081627E+00 1.487888E+00 3.054108E-02 1138 216 1.086353E+00 1.463927E+00 3.047823E-02 1138 217 1.091078E+00 1.427729E+00 3.035414E-02 1138 218 1.095804E+00 1.392129E+00 3.021918E-02 1138 219 1.100529E+00 1.382675E+00 3.011598E-02 1138 220 1.105255E+00 1.373086E+00 3.009194E-02 1138 221 1.109981E+00 1.328903E+00 3.000738E-02 1138 222 1.114706E+00 1.339636E+00 2.997703E-02 1138 223 1.119432E+00 1.287291E+00 2.984559E-02 1138 224 1.124157E+00 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2.435703E-02 1138 785 3.775179E+00 1.548927E-01 2.446869E-02 1138 786 3.779904E+00 1.369737E-01 2.449723E-02 1138 787 3.784630E+00 6.351302E-02 2.454272E-02 1138 788 3.789355E+00 1.184320E-01 2.469056E-02 1138 789 3.794081E+00 1.618880E-01 2.481651E-02 1138 790 3.798807E+00 1.592442E-01 2.488899E-02 1138 791 3.803532E+00 1.143372E-01 2.495293E-02 1138 #