data_SASDDJ3_MAIN # _sas_result.id 817 _sas_result.SASBDB_code SASDDJ3 _sas_result.experimental_MW 37.200 _sas_result.experimental_MW_error . _sas_result.MW_standard 37.200 _sas_result.MW_standard_error . _sas_result.MW_Porod . _sas_result.MW_Porod_error . _sas_result.I0_from_PR . _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 1344.9300000000 _sas_result.I0_from_Guinier_error 8.0600000000 _sas_result.Rg_from_PR . _sas_result.Rg_from_PR_error . _sas_result.Rg_from_Guinier 2.410 _sas_result.Rg_from_Guinier_error 0.080 _sas_result.D_max . _sas_result.Porod_volume . _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 10 _sas_result.Guinier_point_max 244 _sas_result.type_of_curve single_conc _sas_result.standard . _sas_result.Dmax_error . _sas_result.comments "In addition to the SAXS profile displayed above, a lipase B unfolding series spanning 0 M to 6 M guanidine hydrochloride is included in the full entry zip archive." # _sas_scan.title "Candida antarctica lipase B - with guanidine-HCl unfolding series" _sas_scan.detc_id 4 _sas_scan.id 817 _sas_scan.measurement_date 2013-07-29 _sas_scan.storage_temperature 10.0 _sas_scan.cell_temperature 10.0 _sas_scan.exposure_time 0.030 _sas_scan.number_of_frames 1 _sas_scan.unit 1/nm _sas_scan.qmin 0.0536 _sas_scan.qmax 3.4949 _sas_scan.sample_id 777 _sas_scan.result_id 817 _sas_scan.beam_id 6 # _sas_beam.id 6 _sas_beam.instrument_name "PETRA III EMBL P12" _sas_beam.instrument_city Hamburg _sas_beam.instrument_country Germany _sas_beam.shape . _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength 0.124000 _sas_beam.dist_spec_to_detc 3.10000 # _sas_detc.id 4 _sas_detc.name "Pilatus 2M" _sas_detc.type . _sas_detc.pixsize_x . # _sas_sample.id 777 _sas_sample.name "Candida antarctica lipase B - with guanidine-HCl unfolding series" _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 4.65 _sas_sample.concentration_method . _sas_sample.entity_id 968 # _sas_buffer.id 472 _sas_buffer.name "100 mM NaCl, 20 mM Na2HPO4" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 6.000 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 777 # _entity.id 968 _entity.type protein _entity.pdbx_description "Lipase B from Pseudozyma antarctica" _entity.formula_weight 33.022 _entity.pdbx_number_of_molecules . # _entity_name_com.entity_id 968 _entity_name_com.name "lipase B" # _entity_poly.entity_id 968 _entity_poly.pdbx_seq_one_letter_code ;LPSGSDPAFSQPKSVLDAGLTCQGASPSSVSKPILLVPGTGTTGPQSFDSNWIPLSTQLGYTPCWISPPPFMLNDTQVNT EYMVNAITALYAGSGNNKLPVLTWSQGGLVAQWGLTFFPSIRSKVDRLMAFAPDYKGTVLAGPLDALAVSAPSVWQQTTG SALTTALRNAGGLTQIVPTTNLYSATDEIVQPQVSNSPLDSSYLFNGKNVQAQAVCGPLFVIDHAGSLTSQFSYVVGRSA LRSTTGQARSADYGITDCNPLPANDLTPEQKVAAAALLAPAAAAIVAGPKQNCEPDLMPYARPFAVGKRTCSGIVTP ; # _entity_src_gen.entity_id 968 _entity_src_gen.gene_src_common_name "Pseudozyma antarctica (Candida antarctica)" # _struct_ref.id 1 _struct_ref.entity_id 968 _struct_ref.db_name UniProt _struct_ref.db_code P41365 _struct_ref.details http://www.uniprot.org/uniprot/P41365 # _citation.id 345 _citation.title "Machine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions." _citation.year "2018 Jun 5" _citation.pdbx_database_id_DOI 10.1016/j.bpj.2018.04.018 _citation.pdbx_database_id_PubMed 29874600 _citation.journal_abbrev "Biophys J" _citation.journal_volume 114 _citation.journal_issue 11 _citation.page_first 2485 _citation.page_last 2492 # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 345 1 "Franke D" 345 2 "Jeffries CM" # _pdbx_contact_author.id 14 _pdbx_contact_author.name_first "Cy M" _pdbx_contact_author.name_last Jeffries _pdbx_contact_author.role . _pdbx_contact_author.address_1 EMBL-Hamburg _pdbx_contact_author.address_2 "European Molecular Biology Laboratory (EMBL) - Hamburg outstation" _pdbx_contact_author.address_3 "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany" # 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 5.355860E-02 2.206198E+03 4.619385E+02 817 2 5.555710E-02 1.661039E+03 3.614363E+02 817 3 5.755550E-02 2.095267E+03 3.060594E+02 817 4 5.955390E-02 1.463809E+03 2.586505E+02 817 5 6.155240E-02 1.671013E+03 2.382746E+02 817 6 6.355080E-02 1.903165E+03 2.072807E+02 817 7 6.554920E-02 1.169004E+03 1.830720E+02 817 8 6.754770E-02 1.781857E+03 1.859590E+02 817 9 6.954610E-02 1.576058E+03 1.830025E+02 817 10 7.154450E-02 1.588608E+03 1.709534E+02 817 11 7.354300E-02 1.404780E+03 1.588737E+02 817 12 7.554140E-02 1.206466E+03 1.530439E+02 817 13 7.753980E-02 1.174723E+03 1.421253E+02 817 14 7.953830E-02 1.359794E+03 1.454337E+02 817 15 8.153670E-02 1.238976E+03 1.350249E+02 817 16 8.353510E-02 1.409937E+03 1.386211E+02 817 17 8.553360E-02 1.370499E+03 1.348680E+02 817 18 8.753200E-02 1.367371E+03 1.284379E+02 817 19 8.953040E-02 1.290471E+03 1.259382E+02 817 20 9.152890E-02 1.404026E+03 1.228674E+02 817 21 9.352730E-02 1.283740E+03 1.203534E+02 817 22 9.552570E-02 1.382389E+03 1.194623E+02 817 23 9.752420E-02 1.496379E+03 1.183224E+02 817 24 9.952260E-02 1.401645E+03 1.165371E+02 817 25 1.015210E-01 1.393360E+03 1.113569E+02 817 26 1.035190E-01 1.281575E+03 1.097026E+02 817 27 1.055180E-01 1.247138E+03 1.046838E+02 817 28 1.075160E-01 1.177474E+03 9.989774E+01 817 29 1.095150E-01 1.492457E+03 1.104209E+02 817 30 1.115130E-01 1.337230E+03 1.024806E+02 817 31 1.135120E-01 1.480170E+03 1.068164E+02 817 32 1.155100E-01 1.447839E+03 1.020011E+02 817 33 1.175080E-01 1.315366E+03 9.792209E+01 817 34 1.195070E-01 1.242725E+03 9.656972E+01 817 35 1.215050E-01 1.455601E+03 9.879426E+01 817 36 1.235040E-01 1.271569E+03 9.453785E+01 817 37 1.255020E-01 1.405674E+03 9.532198E+01 817 38 1.275010E-01 1.246250E+03 9.172697E+01 817 39 1.294990E-01 1.401117E+03 9.463744E+01 817 40 1.314980E-01 1.252806E+03 8.798310E+01 817 41 1.334960E-01 1.188525E+03 8.666209E+01 817 42 1.354940E-01 1.315486E+03 8.873520E+01 817 43 1.374930E-01 1.548074E+03 9.518383E+01 817 44 1.394910E-01 1.189423E+03 8.330049E+01 817 45 1.414900E-01 1.334465E+03 8.625699E+01 817 46 1.434880E-01 1.368526E+03 8.786443E+01 817 47 1.454870E-01 1.404384E+03 8.737938E+01 817 48 1.474850E-01 1.322794E+03 8.545529E+01 817 49 1.494830E-01 1.329326E+03 8.274649E+01 817 50 1.514820E-01 1.252733E+03 8.188009E+01 817 51 1.534800E-01 1.425512E+03 8.504329E+01 817 52 1.554790E-01 1.395110E+03 8.260441E+01 817 53 1.574770E-01 1.225098E+03 8.016643E+01 817 54 1.594760E-01 1.215267E+03 7.622778E+01 817 55 1.614740E-01 1.282551E+03 8.019613E+01 817 56 1.634720E-01 1.290618E+03 7.853800E+01 817 57 1.654710E-01 1.349868E+03 7.868852E+01 817 58 1.674690E-01 1.189276E+03 7.516183E+01 817 59 1.694680E-01 1.256170E+03 7.541996E+01 817 60 1.714660E-01 1.310620E+03 7.798202E+01 817 61 1.734650E-01 1.334782E+03 7.616409E+01 817 62 1.754630E-01 1.190125E+03 7.278138E+01 817 63 1.774610E-01 1.216453E+03 7.340624E+01 817 64 1.794600E-01 1.110157E+03 6.985254E+01 817 65 1.814580E-01 1.248017E+03 7.292245E+01 817 66 1.834570E-01 1.154903E+03 6.946811E+01 817 67 1.854550E-01 1.246732E+03 7.191951E+01 817 68 1.874540E-01 1.263349E+03 7.320748E+01 817 69 1.894520E-01 1.244303E+03 7.204013E+01 817 70 1.914510E-01 1.094889E+03 6.949948E+01 817 71 1.934490E-01 1.250378E+03 7.238826E+01 817 72 1.954470E-01 1.169956E+03 7.232032E+01 817 73 1.974460E-01 1.268025E+03 7.461976E+01 817 74 1.994440E-01 1.282476E+03 7.384931E+01 817 75 2.014430E-01 1.167913E+03 7.133092E+01 817 76 2.034410E-01 1.188770E+03 7.170768E+01 817 77 2.054400E-01 1.321752E+03 7.522391E+01 817 78 2.074380E-01 1.175071E+03 7.099316E+01 817 79 2.094360E-01 1.255470E+03 7.351508E+01 817 80 2.114350E-01 1.195720E+03 7.170972E+01 817 81 2.134330E-01 1.225034E+03 7.405551E+01 817 82 2.154320E-01 1.195973E+03 7.477454E+01 817 83 2.174300E-01 1.217478E+03 7.343566E+01 817 84 2.194290E-01 1.256649E+03 7.757809E+01 817 85 2.214270E-01 1.124731E+03 7.388744E+01 817 86 2.234250E-01 1.417962E+03 8.219329E+01 817 87 2.254240E-01 1.198510E+03 7.597295E+01 817 88 2.274220E-01 1.231357E+03 7.640004E+01 817 89 2.294210E-01 1.252588E+03 7.885041E+01 817 90 2.314190E-01 1.091886E+03 7.427755E+01 817 91 2.334180E-01 1.410867E+03 8.299548E+01 817 92 2.354160E-01 1.233034E+03 7.859615E+01 817 93 2.374140E-01 1.213209E+03 7.827495E+01 817 94 2.394130E-01 1.142660E+03 7.809101E+01 817 95 2.414110E-01 1.056495E+03 7.331239E+01 817 96 2.434100E-01 1.151874E+03 7.778396E+01 817 97 2.454080E-01 1.249176E+03 8.018819E+01 817 98 2.474070E-01 1.124125E+03 7.424961E+01 817 99 2.494050E-01 1.131085E+03 7.388968E+01 817 100 2.514040E-01 1.317618E+03 7.646415E+01 817 101 2.534020E-01 1.168950E+03 7.439813E+01 817 102 2.554000E-01 1.120534E+03 7.116942E+01 817 103 2.573990E-01 1.089053E+03 7.107024E+01 817 104 2.593970E-01 1.106438E+03 7.013613E+01 817 105 2.613960E-01 1.143824E+03 7.088714E+01 817 106 2.633940E-01 1.182062E+03 7.285383E+01 817 107 2.653930E-01 1.206374E+03 7.117484E+01 817 108 2.673910E-01 1.264152E+03 7.280899E+01 817 109 2.693890E-01 1.103550E+03 6.954677E+01 817 110 2.713880E-01 1.184384E+03 7.036222E+01 817 111 2.733860E-01 1.086731E+03 6.894402E+01 817 112 2.753850E-01 1.127345E+03 6.830884E+01 817 113 2.773830E-01 1.259082E+03 7.131520E+01 817 114 2.793820E-01 1.147375E+03 6.846757E+01 817 115 2.813800E-01 1.082918E+03 6.705006E+01 817 116 2.833780E-01 1.161614E+03 6.946946E+01 817 117 2.853770E-01 1.082736E+03 6.529604E+01 817 118 2.873750E-01 1.089417E+03 6.683017E+01 817 119 2.893740E-01 1.150169E+03 6.727133E+01 817 120 2.913720E-01 1.147230E+03 6.778406E+01 817 121 2.933710E-01 1.206774E+03 6.866428E+01 817 122 2.953690E-01 1.051108E+03 6.388086E+01 817 123 2.973670E-01 1.052198E+03 6.480981E+01 817 124 2.993660E-01 1.025479E+03 6.335267E+01 817 125 3.013640E-01 1.164872E+03 6.687759E+01 817 126 3.033630E-01 1.184776E+03 6.682004E+01 817 127 3.053610E-01 1.126191E+03 6.500789E+01 817 128 3.073600E-01 1.058058E+03 6.450744E+01 817 129 3.093580E-01 1.055505E+03 6.299441E+01 817 130 3.113570E-01 1.079865E+03 6.296843E+01 817 131 3.133550E-01 1.015752E+03 6.242305E+01 817 132 3.153530E-01 1.054066E+03 6.297622E+01 817 133 3.173520E-01 1.101607E+03 6.353908E+01 817 134 3.193500E-01 1.177591E+03 6.451613E+01 817 135 3.213490E-01 1.126724E+03 6.410974E+01 817 136 3.233470E-01 1.101098E+03 6.347804E+01 817 137 3.253460E-01 1.117077E+03 6.351327E+01 817 138 3.273440E-01 1.082523E+03 6.228959E+01 817 139 3.293420E-01 1.057377E+03 6.131458E+01 817 140 3.313410E-01 1.107422E+03 6.257662E+01 817 141 3.333390E-01 1.067914E+03 6.199987E+01 817 142 3.353380E-01 9.877065E+02 5.881271E+01 817 143 3.373360E-01 1.087860E+03 6.238204E+01 817 144 3.393350E-01 9.919759E+02 5.880916E+01 817 145 3.413330E-01 1.133776E+03 6.313598E+01 817 146 3.433310E-01 1.042919E+03 6.033406E+01 817 147 3.453300E-01 1.124376E+03 6.144028E+01 817 148 3.473280E-01 1.107258E+03 6.141634E+01 817 149 3.493270E-01 9.743394E+02 5.832895E+01 817 150 3.513250E-01 1.060863E+03 6.043686E+01 817 151 3.533240E-01 1.160943E+03 6.099269E+01 817 152 3.553220E-01 1.052508E+03 6.002680E+01 817 153 3.573200E-01 1.071334E+03 6.007880E+01 817 154 3.593190E-01 9.512071E+02 5.721903E+01 817 155 3.613170E-01 9.706970E+02 5.731363E+01 817 156 3.633160E-01 1.091416E+03 6.119114E+01 817 157 3.653140E-01 1.020407E+03 6.073419E+01 817 158 3.673130E-01 1.038099E+03 6.100273E+01 817 159 3.693110E-01 9.581378E+02 5.935148E+01 817 160 3.713090E-01 1.010163E+03 6.083946E+01 817 161 3.733080E-01 1.002854E+03 6.086400E+01 817 162 3.753060E-01 1.039223E+03 6.194847E+01 817 163 3.773050E-01 1.080747E+03 6.090686E+01 817 164 3.793030E-01 1.036827E+03 5.995794E+01 817 165 3.813020E-01 1.096414E+03 6.089019E+01 817 166 3.833000E-01 1.126106E+03 6.223544E+01 817 167 3.852990E-01 1.056497E+03 5.980492E+01 817 168 3.872970E-01 9.911880E+02 5.746469E+01 817 169 3.892950E-01 1.052745E+03 5.942789E+01 817 170 3.912940E-01 1.042290E+03 5.859905E+01 817 171 3.932920E-01 1.073847E+03 5.966551E+01 817 172 3.952910E-01 9.547606E+02 5.589987E+01 817 173 3.972890E-01 1.104118E+03 5.955918E+01 817 174 3.992880E-01 9.923619E+02 5.748290E+01 817 175 4.012860E-01 8.738817E+02 5.320060E+01 817 176 4.032840E-01 9.419129E+02 5.529912E+01 817 177 4.052830E-01 9.777447E+02 5.535770E+01 817 178 4.072810E-01 1.021037E+03 5.704439E+01 817 179 4.092800E-01 9.635731E+02 5.566340E+01 817 180 4.112780E-01 1.049342E+03 5.616974E+01 817 181 4.132770E-01 9.308434E+02 5.382822E+01 817 182 4.152750E-01 9.595503E+02 5.417198E+01 817 183 4.172730E-01 9.538546E+02 5.446482E+01 817 184 4.192720E-01 9.177890E+02 5.290800E+01 817 185 4.212700E-01 9.120204E+02 5.238239E+01 817 186 4.232690E-01 9.118985E+02 5.252295E+01 817 187 4.252670E-01 8.971329E+02 5.164602E+01 817 188 4.272660E-01 9.525088E+02 5.351176E+01 817 189 4.292640E-01 9.311217E+02 5.165983E+01 817 190 4.312620E-01 8.892135E+02 5.094912E+01 817 191 4.332610E-01 9.293867E+02 5.311520E+01 817 192 4.352590E-01 1.043774E+03 5.443989E+01 817 193 4.372580E-01 9.517342E+02 5.243411E+01 817 194 4.392560E-01 9.345815E+02 5.164467E+01 817 195 4.412550E-01 9.286404E+02 5.196901E+01 817 196 4.432530E-01 7.509148E+02 4.844817E+01 817 197 4.452520E-01 9.369589E+02 5.156880E+01 817 198 4.472500E-01 7.914852E+02 4.892574E+01 817 199 4.492480E-01 9.337531E+02 5.118430E+01 817 200 4.512470E-01 8.136953E+02 4.888589E+01 817 201 4.532450E-01 9.243527E+02 5.148544E+01 817 202 4.552440E-01 8.033690E+02 4.804222E+01 817 203 4.572420E-01 8.011716E+02 4.869310E+01 817 204 4.592410E-01 1.024456E+03 5.286914E+01 817 205 4.612390E-01 8.781675E+02 5.013241E+01 817 206 4.632370E-01 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