data_SASDEH5_MAIN # _sas_result.id 1136 _sas_result.SASBDB_code SASDEH5 _sas_result.experimental_MW 168.000 _sas_result.experimental_MW_error . _sas_result.MW_standard . _sas_result.MW_standard_error . _sas_result.MW_Porod 160.000 _sas_result.MW_Porod_error . _sas_result.I0_from_PR . _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 152.0000000000 _sas_result.I0_from_Guinier_error . _sas_result.Rg_from_PR . _sas_result.Rg_from_PR_error . _sas_result.Rg_from_Guinier 3.620 _sas_result.Rg_from_Guinier_error . _sas_result.D_max . _sas_result.Porod_volume 256.00 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 18 _sas_result.Guinier_point_max 67 _sas_result.type_of_curve single_conc _sas_result.standard . _sas_result.Dmax_error . _sas_result.comments . # _sas_scan.title "AMP/fumarate-bound human adenylosuccinate lyase (ADSL)" _sas_scan.detc_id 16 _sas_scan.id 1136 _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 0.0467 _sas_scan.qmax 3.8035 _sas_scan.sample_id 1097 _sas_scan.result_id 1136 _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 1097 _sas_sample.name "AMP/fumarate-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 687 _sas_buffer.name "10 mM HEPES, 100 mM NaCl, 1 mM DTT, 1mM AMP, 1mM Fumarate" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 7.500 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 1097 # _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 1.498391E+02 9.159571E-01 1136 2 5.146200E-02 1.513461E+02 7.006211E-01 1136 3 5.618753E-02 1.496906E+02 5.761176E-01 1136 4 6.091306E-02 1.493025E+02 4.882304E-01 1136 5 6.563859E-02 1.488337E+02 4.331034E-01 1136 6 7.036412E-02 1.479552E+02 3.897978E-01 1136 7 7.508965E-02 1.472783E+02 3.572631E-01 1136 8 7.981518E-02 1.471384E+02 3.329102E-01 1136 9 8.454071E-02 1.471112E+02 3.135517E-01 1136 10 8.926623E-02 1.466101E+02 2.961444E-01 1136 11 9.399176E-02 1.459336E+02 2.814859E-01 1136 12 9.871729E-02 1.452896E+02 2.694305E-01 1136 13 1.034428E-01 1.449043E+02 2.589439E-01 1136 14 1.081684E-01 1.439266E+02 2.492186E-01 1136 15 1.128939E-01 1.432517E+02 2.405007E-01 1136 16 1.176194E-01 1.425209E+02 2.332630E-01 1136 17 1.223449E-01 1.419018E+02 2.266523E-01 1136 18 1.270705E-01 1.410673E+02 2.202387E-01 1136 19 1.317960E-01 1.407604E+02 2.144917E-01 1136 20 1.365215E-01 1.403840E+02 2.098722E-01 1136 21 1.412471E-01 1.393458E+02 2.049888E-01 1136 22 1.459726E-01 1.384565E+02 2.002267E-01 1136 23 1.506981E-01 1.378065E+02 1.955244E-01 1136 24 1.554236E-01 1.366439E+02 1.913526E-01 1136 25 1.601492E-01 1.358467E+02 1.875518E-01 1136 26 1.648747E-01 1.350963E+02 1.840127E-01 1136 27 1.696002E-01 1.340964E+02 1.800143E-01 1136 28 1.743258E-01 1.332238E+02 1.767954E-01 1136 29 1.790513E-01 1.321213E+02 1.735439E-01 1136 30 1.837768E-01 1.311435E+02 1.705417E-01 1136 31 1.885023E-01 1.300619E+02 1.671434E-01 1136 32 1.932279E-01 1.289917E+02 1.643385E-01 1136 33 1.979534E-01 1.282358E+02 1.617501E-01 1136 34 2.026789E-01 1.270847E+02 1.590681E-01 1136 35 2.074045E-01 1.258251E+02 1.561323E-01 1136 36 2.121300E-01 1.248995E+02 1.538784E-01 1136 37 2.168555E-01 1.236885E+02 1.514471E-01 1136 38 2.215810E-01 1.226210E+02 1.491365E-01 1136 39 2.263066E-01 1.215862E+02 1.467152E-01 1136 40 2.310321E-01 1.207125E+02 1.445847E-01 1136 41 2.357576E-01 1.193066E+02 1.423312E-01 1136 42 2.404832E-01 1.184263E+02 1.404262E-01 1136 43 2.452087E-01 1.170148E+02 1.380841E-01 1136 44 2.499342E-01 1.159107E+02 1.360394E-01 1136 45 2.546598E-01 1.145633E+02 1.340047E-01 1136 46 2.593853E-01 1.133065E+02 1.320796E-01 1136 47 2.641108E-01 1.121296E+02 1.301219E-01 1136 48 2.688363E-01 1.107481E+02 1.281224E-01 1136 49 2.735619E-01 1.097318E+02 1.264795E-01 1136 50 2.782874E-01 1.084581E+02 1.247163E-01 1136 51 2.830129E-01 1.073408E+02 1.230137E-01 1136 52 2.877385E-01 1.058748E+02 1.211493E-01 1136 53 2.924640E-01 1.045708E+02 1.194995E-01 1136 54 2.971895E-01 1.031047E+02 1.177716E-01 1136 55 3.019150E-01 1.019919E+02 1.162070E-01 1136 56 3.066406E-01 1.008226E+02 1.145765E-01 1136 57 3.113661E-01 9.945301E+01 1.129952E-01 1136 58 3.160916E-01 9.799524E+01 1.113851E-01 1136 59 3.208172E-01 9.671512E+01 1.098607E-01 1136 60 3.255427E-01 9.585868E+01 1.087125E-01 1136 61 3.302682E-01 9.431976E+01 1.094111E-01 1136 62 3.349937E-01 9.287471E+01 1.093409E-01 1136 63 3.397193E-01 9.171671E+01 1.090126E-01 1136 64 3.444448E-01 9.068365E+01 1.087079E-01 1136 65 3.491703E-01 8.916147E+01 1.104700E-01 1136 66 3.538959E-01 8.784978E+01 1.114023E-01 1136 67 3.586214E-01 8.643310E+01 1.117633E-01 1136 68 3.633469E-01 8.515601E+01 1.120007E-01 1136 69 3.680724E-01 8.383447E+01 1.120386E-01 1136 70 3.727980E-01 8.262925E+01 1.121136E-01 1136 71 3.775235E-01 8.135697E+01 1.118340E-01 1136 72 3.822490E-01 8.008772E+01 1.115815E-01 1136 73 3.869746E-01 7.884930E+01 1.113226E-01 1136 74 3.917001E-01 7.778265E+01 1.110721E-01 1136 75 3.964256E-01 7.647152E+01 1.127483E-01 1136 76 4.011511E-01 7.486392E+01 1.151890E-01 1136 77 4.058767E-01 7.352209E+01 1.166621E-01 1136 78 4.106022E-01 7.217435E+01 1.179066E-01 1136 79 4.153277E-01 7.083210E+01 1.189504E-01 1136 80 4.200533E-01 6.947129E+01 1.197477E-01 1136 81 4.247788E-01 6.815573E+01 1.205206E-01 1136 82 4.295043E-01 6.680604E+01 1.212319E-01 1136 83 4.342299E-01 6.534184E+01 1.218277E-01 1136 84 4.389554E-01 6.420433E+01 1.227339E-01 1136 85 4.436809E-01 6.294386E+01 1.232758E-01 1136 86 4.484064E-01 6.170706E+01 1.237907E-01 1136 87 4.531320E-01 6.058610E+01 1.241402E-01 1136 88 4.578575E-01 5.919061E+01 1.237212E-01 1136 89 4.625830E-01 5.883468E+01 1.187998E-01 1136 90 4.673086E-01 5.749173E+01 1.147647E-01 1136 91 4.720341E-01 5.621842E+01 1.120386E-01 1136 92 4.767596E-01 5.491949E+01 1.097025E-01 1136 93 4.814851E-01 5.400616E+01 1.078634E-01 1136 94 4.862107E-01 5.289673E+01 1.061100E-01 1136 95 4.909362E-01 5.155080E+01 1.042826E-01 1136 96 4.956617E-01 5.056502E+01 1.027965E-01 1136 97 5.003873E-01 4.943982E+01 1.011487E-01 1136 98 5.051128E-01 4.822526E+01 9.965373E-02 1136 99 5.098383E-01 4.707803E+01 9.818828E-02 1136 100 5.145638E-01 4.603705E+01 9.667803E-02 1136 101 5.192894E-01 4.508801E+01 9.500416E-02 1136 102 5.240149E-01 4.412674E+01 9.343587E-02 1136 103 5.287404E-01 4.308502E+01 9.190915E-02 1136 104 5.334660E-01 4.211526E+01 9.038022E-02 1136 105 5.381915E-01 4.110370E+01 8.883343E-02 1136 106 5.429170E-01 4.008564E+01 8.739791E-02 1136 107 5.476425E-01 3.916617E+01 8.599032E-02 1136 108 5.523681E-01 3.830299E+01 8.465888E-02 1136 109 5.570936E-01 3.733124E+01 8.322771E-02 1136 110 5.618191E-01 3.632827E+01 8.185293E-02 1136 111 5.665447E-01 3.546544E+01 8.072269E-02 1136 112 5.712702E-01 3.454116E+01 7.969922E-02 1136 113 5.759957E-01 3.368763E+01 7.861687E-02 1136 114 5.807213E-01 3.276733E+01 7.756713E-02 1136 115 5.854468E-01 3.194327E+01 7.668083E-02 1136 116 5.901723E-01 3.113202E+01 7.566825E-02 1136 117 5.948978E-01 3.042460E+01 7.473906E-02 1136 118 5.996234E-01 2.956904E+01 7.374816E-02 1136 119 6.043489E-01 2.872011E+01 7.276354E-02 1136 120 6.090744E-01 2.796141E+01 7.190432E-02 1136 121 6.138000E-01 2.718016E+01 7.090013E-02 1136 122 6.185255E-01 2.652951E+01 7.010917E-02 1136 123 6.232510E-01 2.569749E+01 6.912434E-02 1136 124 6.279765E-01 2.489901E+01 6.811739E-02 1136 125 6.327021E-01 2.430394E+01 6.738675E-02 1136 126 6.374276E-01 2.369288E+01 6.654017E-02 1136 127 6.421531E-01 2.298909E+01 6.565432E-02 1136 128 6.468787E-01 2.225620E+01 6.473350E-02 1136 129 6.516042E-01 2.153713E+01 6.386478E-02 1136 130 6.563297E-01 2.097230E+01 6.309666E-02 1136 131 6.610552E-01 2.042782E+01 6.231425E-02 1136 132 6.657808E-01 1.977455E+01 6.147600E-02 1136 133 6.705063E-01 1.923076E+01 6.075406E-02 1136 134 6.752318E-01 1.864841E+01 5.992975E-02 1136 135 6.799574E-01 1.808879E+01 5.917916E-02 1136 136 6.846829E-01 1.747325E+01 5.841866E-02 1136 137 6.894084E-01 1.707630E+01 5.781250E-02 1136 138 6.941339E-01 1.645219E+01 5.692584E-02 1136 139 6.988595E-01 1.594854E+01 5.624689E-02 1136 140 7.035850E-01 1.550448E+01 5.564646E-02 1136 141 7.083105E-01 1.495166E+01 5.488168E-02 1136 142 7.130361E-01 1.450021E+01 5.419131E-02 1136 143 7.177616E-01 1.409080E+01 5.355347E-02 1136 144 7.224871E-01 1.362427E+01 5.288641E-02 1136 145 7.272127E-01 1.313238E+01 5.227092E-02 1136 146 7.319382E-01 1.267111E+01 5.150780E-02 1136 147 7.366637E-01 1.232320E+01 5.101669E-02 1136 148 7.413892E-01 1.190754E+01 5.034935E-02 1136 149 7.461148E-01 1.152431E+01 4.977058E-02 1136 150 7.508403E-01 1.111304E+01 4.916848E-02 1136 151 7.555658E-01 1.084559E+01 4.873609E-02 1136 152 7.602914E-01 1.045756E+01 4.814799E-02 1136 153 7.650169E-01 1.015888E+01 4.766729E-02 1136 154 7.697424E-01 9.813888E+00 4.706633E-02 1136 155 7.744679E-01 9.499585E+00 4.654158E-02 1136 156 7.791935E-01 9.147654E+00 4.600711E-02 1136 157 7.839190E-01 8.914053E+00 4.556797E-02 1136 158 7.886445E-01 8.548335E+00 4.501198E-02 1136 159 7.933701E-01 8.304880E+00 4.457163E-02 1136 160 7.980956E-01 7.967841E+00 4.409984E-02 1136 161 8.028211E-01 7.751611E+00 4.375901E-02 1136 162 8.075466E-01 7.468520E+00 4.322398E-02 1136 163 8.122722E-01 7.210468E+00 4.287760E-02 1136 164 8.169977E-01 6.997041E+00 4.239601E-02 1136 165 8.217232E-01 6.787351E+00 4.198966E-02 1136 166 8.264488E-01 6.492477E+00 4.151849E-02 1136 167 8.311743E-01 6.354290E+00 4.123822E-02 1136 168 8.358998E-01 6.221743E+00 4.095328E-02 1136 169 8.406253E-01 5.909473E+00 4.041881E-02 1136 170 8.453509E-01 5.773702E+00 4.014283E-02 1136 171 8.500764E-01 5.562489E+00 3.978061E-02 1136 172 8.548019E-01 5.348101E+00 3.940571E-02 1136 173 8.595275E-01 5.214293E+00 3.912039E-02 1136 174 8.642530E-01 5.063971E+00 3.883060E-02 1136 175 8.689785E-01 4.876348E+00 3.848557E-02 1136 176 8.737041E-01 4.766048E+00 3.822288E-02 1136 177 8.784296E-01 4.644672E+00 3.795382E-02 1136 178 8.831551E-01 4.483711E+00 3.767683E-02 1136 179 8.878806E-01 4.364958E+00 3.737437E-02 1136 180 8.926062E-01 4.216593E+00 3.712810E-02 1136 181 8.973317E-01 4.120913E+00 3.691836E-02 1136 182 9.020572E-01 3.990714E+00 3.663267E-02 1136 183 9.067828E-01 3.850952E+00 3.636331E-02 1136 184 9.115083E-01 3.712358E+00 3.612748E-02 1136 185 9.162338E-01 3.620226E+00 3.592916E-02 1136 186 9.209593E-01 3.552029E+00 3.574203E-02 1136 187 9.256849E-01 3.488132E+00 3.551870E-02 1136 188 9.304104E-01 3.416847E+00 3.536338E-02 1136 189 9.351359E-01 3.312752E+00 3.512024E-02 1136 190 9.398615E-01 3.275963E+00 3.497712E-02 1136 191 9.445870E-01 3.139119E+00 3.471289E-02 1136 192 9.493125E-01 3.045338E+00 3.452923E-02 1136 193 9.540380E-01 3.013059E+00 3.438465E-02 1136 194 9.587636E-01 2.913159E+00 3.424156E-02 1136 195 9.634891E-01 2.837817E+00 3.405997E-02 1136 196 9.682146E-01 2.809656E+00 3.389565E-02 1136 197 9.729402E-01 2.715945E+00 3.375352E-02 1136 198 9.776657E-01 2.629488E+00 3.356668E-02 1136 199 9.823912E-01 2.615667E+00 3.340398E-02 1136 200 9.871167E-01 2.567186E+00 3.331141E-02 1136 201 9.918423E-01 2.498672E+00 3.312247E-02 1136 202 9.965678E-01 2.490922E+00 3.309002E-02 1136 203 1.001293E+00 2.403754E+00 3.290968E-02 1136 204 1.006019E+00 2.353490E+00 3.276682E-02 1136 205 1.010744E+00 2.295439E+00 3.264457E-02 1136 206 1.015470E+00 2.273634E+00 3.251048E-02 1136 207 1.020195E+00 2.223710E+00 3.233789E-02 1136 208 1.024921E+00 2.192277E+00 3.225129E-02 1136 209 1.029647E+00 2.205353E+00 3.221454E-02 1136 210 1.034372E+00 2.160385E+00 3.206150E-02 1136 211 1.039098E+00 2.133870E+00 3.200294E-02 1136 212 1.043823E+00 2.066026E+00 3.185481E-02 1136 213 1.048549E+00 2.029354E+00 3.178643E-02 1136 214 1.053274E+00 2.030929E+00 3.169870E-02 1136 215 1.058000E+00 2.020479E+00 3.159465E-02 1136 216 1.062725E+00 1.946649E+00 3.143773E-02 1136 217 1.067451E+00 1.933848E+00 3.137256E-02 1136 218 1.072176E+00 1.931589E+00 3.130145E-02 1136 219 1.076902E+00 1.881342E+00 3.121689E-02 1136 220 1.081627E+00 1.883767E+00 3.113326E-02 1136 221 1.086353E+00 1.838997E+00 3.102624E-02 1136 222 1.091078E+00 1.819108E+00 3.095191E-02 1136 223 1.095804E+00 1.785541E+00 3.081964E-02 1136 224 1.100529E+00 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2.389175E-02 1136 785 3.751551E+00 1.061186E-01 2.391581E-02 1136 786 3.756277E+00 1.361523E-01 2.404171E-02 1136 787 3.761002E+00 1.585824E-01 2.416988E-02 1136 788 3.765728E+00 1.294779E-01 2.423200E-02 1136 789 3.770453E+00 1.517406E-01 2.435737E-02 1136 790 3.775179E+00 1.062792E-01 2.440867E-02 1136 791 3.779904E+00 1.388016E-01 2.450211E-02 1136 792 3.784630E+00 1.233971E-01 2.459337E-02 1136 793 3.789355E+00 1.449549E-01 2.470047E-02 1136 794 3.794081E+00 1.139579E-01 2.474790E-02 1136 795 3.798807E+00 1.850581E-01 2.487749E-02 1136 796 3.803532E+00 1.551455E-01 2.498633E-02 1136 #