data_SASDCS3_MAIN # _sas_result.id 569 _sas_result.SASBDB_code SASDCS3 _sas_result.experimental_MW 429.000 _sas_result.experimental_MW_error . _sas_result.MW_standard . _sas_result.MW_standard_error . _sas_result.MW_Porod . _sas_result.MW_Porod_error . _sas_result.I0_from_PR 177.0000000000 _sas_result.I0_from_PR_error 0.5000000000 _sas_result.I0_from_Guinier 182.8600000000 _sas_result.I0_from_Guinier_error 0.5900000000 _sas_result.Rg_from_PR 5.140 _sas_result.Rg_from_PR_error 0.050 _sas_result.Rg_from_Guinier 5.270 _sas_result.Rg_from_Guinier_error 0.100 _sas_result.D_max 14.10 _sas_result.Porod_volume 541.00 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 2 _sas_result.Guinier_point_max 18 _sas_result.type_of_curve single_conc _sas_result.standard . _sas_result.Dmax_error . _sas_result.comments . # _sas_scan.title "Proline utilization A from Bradyrhizobium diazoefficiens (formerly Bradyrhizobium japonicum) 2.3 mg/mL" _sas_scan.detc_id 20 _sas_scan.id 569 _sas_scan.measurement_date 2016-12-16 _sas_scan.storage_temperature . _sas_scan.cell_temperature . _sas_scan.exposure_time . _sas_scan.number_of_frames . _sas_scan.unit 1/A _sas_scan.qmin 0.0131 _sas_scan.qmax 0.3244 _sas_scan.sample_id 527 _sas_scan.result_id 569 _sas_scan.beam_id 21 # _sas_beam.id 21 _sas_beam.instrument_name "Advanced Light Source (ALS) 12.3.1 (SIBYLS)" _sas_beam.instrument_city "Berkeley, CA" _sas_beam.instrument_country USA _sas_beam.shape . _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength . _sas_beam.dist_spec_to_detc . # _sas_detc.id 20 _sas_detc.name "Pilatus3 X 2M" _sas_detc.type . _sas_detc.pixsize_x 172.000 # _sas_sample.id 527 _sas_sample.name "Proline utilization A from Bradyrhizobium diazoefficiens (formerly Bradyrhizobium japonicum) 2.3 mg/mL" _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 2.30 _sas_sample.concentration_method . _sas_sample.entity_id 681 # _sas_buffer.id 331 _sas_buffer.name "50 mM Tris (pH 7.8), 50 mM NaCl, 0.5 mM Tris(2-carboxyethyl)phosphine, and 5% (v/v) glycerol" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 7.800 _sas_buffer.comment "BjPutA buffer" _sas_buffer.composition . _sas_buffer.sample_id 527 # _entity.id 681 _entity.type protein _entity.pdbx_description "Proline dehydrogenase" _entity.formula_weight 107.558 _entity.pdbx_number_of_molecules 4 # _entity_name_com.entity_id 681 _entity_name_com.name "BjPutA wild-type" # _entity_poly.entity_id 681 _entity_poly.pdbx_seq_one_letter_code ;GHMPNIPPPFTAPYAPDDAEIAARLLPASHLSPPQEARIHRTATRLIEAIRKRDDRLGGVEDMLREFALSTKEGLALMVL AEALLRVPDARTADQFIEDKLGEGDFIHHETKSTAFLVNASAWALGLSARVIQPGETPDGTIGRLVKRLGAPAVRTATRQ AMRLMGNHFVLGETIEQALERGKPRSGQKTRYSFDMLGEGARTAADARRYFDAYASAIETIGKAAGNHALPDRPGISVKL SALHPRFEAISRARVMVELVPQLLDLAQRAKAHDLNFTVDAEEADRLELSLDVIAATLADPSLKGWDGFGLAIQAYQKRA SAVIDYVDALARAHDRKLMVRLVKGAYWDTEIKRAQERGLDGYPVFTRKAMTDLNYVACASKLLALRPRIFPQFATHNAL TVATVLEMAEGSSGFEFQRLHGMGEALYEQLAKDHADIAYRTYAPVGSHRDLLAYLVRRLLENGANSSFVAQAADYRVPV PALLQRPADAIVRPQAAAHPRIPLPCDLFAPERRNSRGVEFGARTALDQLLTDVKAETGDLKPIADATPDQAHAAVAAAR AGFAGWSRTPAGIRAAALEQAAHLLESRSAHFIALLQREGGKTLDDALSELREAADFCRYYAAQGRKLFGSETAMPGPTG ESNALTMRGRGVFVAISPWNFPLAIFLGQVTAALMAGNSVVAKPAEQTPRIAREAVALLHEAGIPKSALYLVTGDGRIGA ALTAHPDIAGVVFTGSTEVARSINRALAAKDGPIVPLIAETGGINAMIADATALPEQVADDVVTSAFRSAGQRCSALRLL FVQEDVADRMIEMVAGAARELKIGDPSDVATHVGPVIDVEAKQRLDAHIARMKTEARLHFAGPAPEGCFVAPHIFELTEA GQLTEEVFGPILHVVRYRPENLERVLRAIERTGYGLTLGVHSRIDDSIEAIIDRVQVGNIYVNRNMIGAVVGVQPFGGNG LSGTGPKAGGPHYLARFATEQTVTINTAAAGGNAALLAGEE ; # _entity_src_gen.entity_id 681 _entity_src_gen.gene_src_common_name "Bradyrhizobium diazoefficiens (strain JCM 10833 / IAM 13628 / NBRC 14792 / USDA 110)" # _struct_ref.id 1 _struct_ref.entity_id 681 _struct_ref.db_name UniProt _struct_ref.db_code Q89E26 _struct_ref.details http://www.uniprot.org/uniprot/Q89E26 # _citation.id 264 _citation.title "Biophysical investigation of type A PutAs reveals a conserved core oligomeric structure." _citation.year "2017 Jul 15" _citation.pdbx_database_id_DOI 10.1111/febs.14165 _citation.pdbx_database_id_PubMed 28710792 # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 264 1 "Korasick DA" 264 2 "Singh H" 264 3 "Pemberton TA" 264 4 "Luo M" 264 5 "Dhatwalia R" # _pdbx_contact_author.id 108 _pdbx_contact_author.name_first John _pdbx_contact_author.name_last Tanner _pdbx_contact_author.role . _pdbx_contact_author.address_1 Mizzou _pdbx_contact_author.address_2 "University of Missouri-Columbia" _pdbx_contact_author.address_3 "Columbia, MO, USA" # 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 1.307500E-02 1.530846E+02 4.689976E+01 569 2 1.368300E-02 1.527663E+02 1.730277E+01 569 3 1.429100E-02 1.509058E+02 1.367382E+01 569 4 1.489900E-02 1.488971E+02 1.111764E+01 569 5 1.550700E-02 1.461262E+02 1.054822E+01 569 6 1.611500E-02 1.430241E+02 1.145907E+01 569 7 1.672400E-02 1.405071E+02 1.048968E+01 569 8 1.733200E-02 1.385003E+02 1.000721E+01 569 9 1.794000E-02 1.361719E+02 8.963186E+00 569 10 1.854800E-02 1.340325E+02 8.059234E+00 569 11 1.915600E-02 1.305519E+02 6.839607E+00 569 12 1.976400E-02 1.273924E+02 5.711061E+00 569 13 2.037200E-02 1.243637E+02 4.845497E+00 569 14 2.098000E-02 1.218787E+02 4.351729E+00 569 15 2.158900E-02 1.187654E+02 3.672071E+00 569 16 2.219700E-02 1.159080E+02 3.196973E+00 569 17 2.280500E-02 1.125485E+02 2.629940E+00 569 18 2.341300E-02 1.101964E+02 2.262779E+00 569 19 2.402100E-02 1.067143E+02 1.851066E+00 569 20 2.462900E-02 1.039409E+02 1.527598E+00 569 21 2.523700E-02 1.009041E+02 1.310484E+00 569 22 2.584500E-02 9.796410E+01 1.144804E+00 569 23 2.645400E-02 9.506700E+01 1.013740E+00 569 24 2.706200E-02 9.241732E+01 8.698598E-01 569 25 2.767000E-02 8.933917E+01 7.682378E-01 569 26 2.827800E-02 8.620334E+01 7.007295E-01 569 27 2.888600E-02 8.366487E+01 6.507523E-01 569 28 2.949400E-02 8.056974E+01 5.579667E-01 569 29 3.010200E-02 7.775818E+01 4.997368E-01 569 30 3.071000E-02 7.493914E+01 4.462274E-01 569 31 3.131900E-02 7.244093E+01 4.432238E-01 569 32 3.192700E-02 6.959056E+01 4.171018E-01 569 33 3.253500E-02 6.729650E+01 4.019327E-01 569 34 3.314300E-02 6.493413E+01 3.934917E-01 569 35 3.375100E-02 6.199761E+01 3.742001E-01 569 36 3.435900E-02 5.915853E+01 3.733355E-01 569 37 3.496700E-02 5.676017E+01 3.562910E-01 569 38 3.557500E-02 5.441662E+01 3.556173E-01 569 39 3.618400E-02 5.185820E+01 3.466531E-01 569 40 3.679200E-02 4.978071E+01 3.412230E-01 569 41 3.740000E-02 4.752369E+01 3.210474E-01 569 42 3.800800E-02 4.534642E+01 3.163129E-01 569 43 3.861600E-02 4.314343E+01 3.216429E-01 569 44 3.922400E-02 4.105296E+01 3.056184E-01 569 45 3.983200E-02 3.905931E+01 2.997626E-01 569 46 4.044000E-02 3.692255E+01 2.994333E-01 569 47 4.104900E-02 3.498185E+01 2.921265E-01 569 48 4.165700E-02 3.328128E+01 2.788794E-01 569 49 4.226500E-02 3.129113E+01 2.656085E-01 569 50 4.287300E-02 2.949713E+01 2.640623E-01 569 51 4.348100E-02 2.807905E+01 2.595380E-01 569 52 4.408900E-02 2.669857E+01 2.522478E-01 569 53 4.469700E-02 2.515167E+01 2.480281E-01 569 54 4.530500E-02 2.383511E+01 2.389036E-01 569 55 4.591400E-02 2.230686E+01 2.374370E-01 569 56 4.652200E-02 2.099730E+01 2.330950E-01 569 57 4.713000E-02 1.936955E+01 2.267639E-01 569 58 4.773800E-02 1.849015E+01 2.238731E-01 569 59 4.834600E-02 1.702666E+01 1.874940E-01 569 60 4.895400E-02 1.655464E+01 1.210288E-01 569 61 4.956200E-02 1.548213E+01 1.179505E-01 569 62 5.017000E-02 1.455611E+01 1.135830E-01 569 63 5.077900E-02 1.363512E+01 1.145482E-01 569 64 5.138700E-02 1.269283E+01 1.113986E-01 569 65 5.199500E-02 1.207912E+01 1.146907E-01 569 66 5.260300E-02 1.166686E+01 2.771870E-01 569 67 5.321100E-02 1.059327E+01 9.491958E-02 569 68 5.381900E-02 9.947724E+00 9.142546E-02 569 69 5.442700E-02 9.347098E+00 9.147694E-02 569 70 5.503500E-02 8.849465E+00 9.050820E-02 569 71 5.564400E-02 8.319981E+00 8.865174E-02 569 72 5.625200E-02 7.893195E+00 8.730323E-02 569 73 5.686000E-02 7.511150E+00 8.590032E-02 569 74 5.746800E-02 7.042096E+00 8.515129E-02 569 75 5.807600E-02 6.705710E+00 8.343190E-02 569 76 5.868400E-02 6.396072E+00 8.299035E-02 569 77 5.929200E-02 6.112707E+00 8.263066E-02 569 78 5.990000E-02 5.855990E+00 8.119923E-02 569 79 6.050900E-02 5.694972E+00 7.951596E-02 569 80 6.111700E-02 5.530706E+00 7.938844E-02 569 81 6.172500E-02 5.381337E+00 7.898562E-02 569 82 6.233300E-02 5.210494E+00 7.822728E-02 569 83 6.294100E-02 5.084214E+00 7.764619E-02 569 84 6.354900E-02 4.973793E+00 7.661053E-02 569 85 6.415700E-02 4.952414E+00 7.692661E-02 569 86 6.476500E-02 4.859101E+00 7.543345E-02 569 87 6.537400E-02 4.821690E+00 7.509096E-02 569 88 6.598200E-02 4.816565E+00 7.520623E-02 569 89 6.659000E-02 4.752030E+00 7.407616E-02 569 90 6.719800E-02 4.820983E+00 7.385364E-02 569 91 6.780600E-02 4.843814E+00 7.304158E-02 569 92 6.841400E-02 4.858245E+00 7.265086E-02 569 93 6.902200E-02 4.812594E+00 7.160917E-02 569 94 6.963000E-02 4.867773E+00 7.118965E-02 569 95 7.023800E-02 4.918911E+00 7.117967E-02 569 96 7.084700E-02 5.006217E+00 7.200854E-02 569 97 7.145500E-02 5.053324E+00 7.107259E-02 569 98 7.206300E-02 5.079289E+00 7.059135E-02 569 99 7.267100E-02 5.095291E+00 7.125521E-02 569 100 7.327900E-02 5.176323E+00 7.005813E-02 569 101 7.388700E-02 5.236713E+00 6.874904E-02 569 102 7.449500E-02 5.275542E+00 6.752322E-02 569 103 7.510300E-02 5.284112E+00 6.689580E-02 569 104 7.571200E-02 5.301751E+00 6.719341E-02 569 105 7.632000E-02 5.314151E+00 6.702589E-02 569 106 7.692800E-02 5.396678E+00 6.560989E-02 569 107 7.753600E-02 5.411088E+00 6.688386E-02 569 108 7.814400E-02 5.479256E+00 6.621803E-02 569 109 7.875200E-02 5.490193E+00 6.581671E-02 569 110 7.936000E-02 5.487876E+00 6.581610E-02 569 111 7.996800E-02 5.475884E+00 6.567175E-02 569 112 8.057600E-02 5.514461E+00 6.546502E-02 569 113 8.118500E-02 5.607750E+00 6.490541E-02 569 114 8.179300E-02 5.519800E+00 6.506371E-02 569 115 8.240100E-02 5.580981E+00 6.534381E-02 569 116 8.300900E-02 5.519192E+00 6.354406E-02 569 117 8.361700E-02 5.469006E+00 6.358342E-02 569 118 8.422500E-02 5.479818E+00 6.342642E-02 569 119 8.483300E-02 5.402482E+00 6.309789E-02 569 120 8.544100E-02 5.351313E+00 6.308577E-02 569 121 8.604900E-02 5.296643E+00 6.268759E-02 569 122 8.665800E-02 5.222375E+00 6.291417E-02 569 123 8.726600E-02 5.139587E+00 6.185638E-02 569 124 8.787400E-02 5.095228E+00 6.127605E-02 569 125 8.848200E-02 4.988540E+00 6.124947E-02 569 126 8.909000E-02 4.903374E+00 6.137506E-02 569 127 8.969800E-02 4.879624E+00 6.114466E-02 569 128 9.030600E-02 4.793371E+00 6.059290E-02 569 129 9.091400E-02 4.686658E+00 6.012320E-02 569 130 9.152200E-02 4.571884E+00 5.895200E-02 569 131 9.213100E-02 4.471910E+00 5.942172E-02 569 132 9.273900E-02 4.395045E+00 5.930178E-02 569 133 9.334700E-02 4.267474E+00 5.914976E-02 569 134 9.395500E-02 4.169348E+00 5.894741E-02 569 135 9.456300E-02 4.087927E+00 5.790024E-02 569 136 9.517100E-02 3.983052E+00 5.809701E-02 569 137 9.577900E-02 3.869999E+00 5.738948E-02 569 138 9.638700E-02 3.737128E+00 5.750653E-02 569 139 9.699500E-02 3.667097E+00 5.678144E-02 569 140 9.760400E-02 3.476396E+00 5.628865E-02 569 141 9.821200E-02 3.322087E+00 5.637923E-02 569 142 9.882000E-02 3.283505E+00 5.609330E-02 569 143 9.942800E-02 3.116774E+00 5.549373E-02 569 144 1.000360E-01 3.026999E+00 5.467678E-02 569 145 1.006440E-01 2.916480E+00 5.430481E-02 569 146 1.012520E-01 2.845884E+00 5.418192E-02 569 147 1.018600E-01 2.681090E+00 5.407883E-02 569 148 1.024680E-01 2.527615E+00 5.398029E-02 569 149 1.030770E-01 2.447500E+00 5.347670E-02 569 150 1.036850E-01 2.345170E+00 5.340361E-02 569 151 1.042930E-01 2.250475E+00 5.266718E-02 569 152 1.049010E-01 2.153606E+00 5.274515E-02 569 153 1.055090E-01 2.079100E+00 5.238085E-02 569 154 1.061170E-01 1.990867E+00 5.219689E-02 569 155 1.067250E-01 1.884297E+00 5.200658E-02 569 156 1.073330E-01 1.769438E+00 5.167995E-02 569 157 1.079410E-01 1.653270E+00 5.131714E-02 569 158 1.085500E-01 1.604938E+00 5.088410E-02 569 159 1.091580E-01 1.539341E+00 5.067423E-02 569 160 1.097660E-01 1.476284E+00 5.014966E-02 569 161 1.103740E-01 1.405885E+00 5.038093E-02 569 162 1.109820E-01 1.290211E+00 5.016729E-02 569 163 1.115900E-01 1.261881E+00 5.002128E-02 569 164 1.121980E-01 1.215099E+00 4.946131E-02 569 165 1.128060E-01 1.142582E+00 4.981678E-02 569 166 1.134140E-01 1.090657E+00 4.972854E-02 569 167 1.140220E-01 1.008683E+00 4.906953E-02 569 168 1.146310E-01 9.383633E-01 4.927163E-02 569 169 1.152390E-01 8.914889E-01 4.891148E-02 569 170 1.158470E-01 8.505794E-01 4.871441E-02 569 171 1.164550E-01 8.188424E-01 4.847657E-02 569 172 1.170630E-01 8.014481E-01 4.797643E-02 569 173 1.176710E-01 7.300231E-01 4.748997E-02 569 174 1.182790E-01 6.979753E-01 4.746315E-02 569 175 1.188870E-01 6.653306E-01 4.742917E-02 569 176 1.194950E-01 6.510271E-01 4.762759E-02 569 177 1.201030E-01 6.137033E-01 4.726153E-02 569 178 1.207120E-01 6.282136E-01 4.727383E-02 569 179 1.213200E-01 6.083542E-01 4.703508E-02 569 180 1.219280E-01 5.177711E-01 4.665708E-02 569 181 1.225360E-01 5.608540E-01 4.674878E-02 569 182 1.231440E-01 5.650712E-01 4.653043E-02 569 183 1.237520E-01 5.111380E-01 4.630158E-02 569 184 1.243600E-01 4.701253E-01 4.630341E-02 569 185 1.249680E-01 4.879596E-01 4.629740E-02 569 186 1.255760E-01 4.729045E-01 4.602215E-02 569 187 1.261840E-01 4.545817E-01 4.603011E-02 569 188 1.267930E-01 4.729146E-01 4.584658E-02 569 189 1.274010E-01 4.822692E-01 4.581301E-02 569 190 1.280090E-01 5.027711E-01 4.568261E-02 569 191 1.286170E-01 4.827935E-01 4.534542E-02 569 192 1.292250E-01 4.234566E-01 4.498516E-02 569 193 1.298330E-01 4.307824E-01 4.498240E-02 569 194 1.304410E-01 4.099089E-01 4.482108E-02 569 195 1.310490E-01 4.279071E-01 4.519427E-02 569 196 1.316570E-01 4.391091E-01 4.508692E-02 569 197 1.322650E-01 4.477690E-01 4.456370E-02 569 198 1.328730E-01 3.909076E-01 4.484151E-02 569 199 1.334820E-01 4.042720E-01 4.475243E-02 569 200 1.340900E-01 4.065068E-01 4.477102E-02 569 201 1.346980E-01 4.067229E-01 4.465946E-02 569 202 1.353060E-01 3.849115E-01 4.440754E-02 569 203 1.359140E-01 4.184430E-01 4.431423E-02 569 204 1.365220E-01 4.184877E-01 4.379155E-02 569 205 1.371300E-01 4.054104E-01 4.417136E-02 569 206 1.377380E-01 3.749056E-01 4.383623E-02 569 207 1.383460E-01 3.811561E-01 4.379719E-02 569 208 1.389540E-01 3.579671E-01 4.347510E-02 569 209 1.395620E-01 3.959768E-01 4.372195E-02 569 210 1.401710E-01 3.692937E-01 4.391826E-02 569 211 1.407790E-01 3.281042E-01 4.304529E-02 569 212 1.413870E-01 3.594091E-01 4.327773E-02 569 213 1.419950E-01 3.619872E-01 4.241230E-02 569 214 1.426030E-01 3.765020E-01 4.266169E-02 569 215 1.432110E-01 3.515124E-01 4.276449E-02 569 216 1.438190E-01 3.777237E-01 4.299611E-02 569 217 1.444270E-01 3.559965E-01 4.380873E-02 569 218 1.450350E-01 3.419505E-01 4.421770E-02 569 219 1.456430E-01 3.218618E-01 4.467027E-02 569 220 1.462510E-01 2.909260E-01 4.556200E-02 569 221 1.468600E-01 3.107593E-01 4.577531E-02 569 222 1.474680E-01 3.042970E-01 4.695574E-02 569 223 1.480760E-01 3.091878E-01 4.722149E-02 569 224 1.486840E-01 2.695461E-01 4.728795E-02 569 225 1.492920E-01 2.921804E-01 4.705727E-02 569 226 1.499000E-01 2.822775E-01 4.741532E-02 569 227 1.505080E-01 3.124212E-01 4.699531E-02 569 228 1.511160E-01 2.754194E-01 4.694544E-02 569 229 1.517240E-01 2.578916E-01 4.709621E-02 569 230 1.523320E-01 2.612624E-01 4.720003E-02 569 231 1.529400E-01 2.542565E-01 4.806238E-02 569 232 1.535480E-01 2.363723E-01 4.803492E-02 569 233 1.541560E-01 2.538272E-01 4.781453E-02 569 234 1.547650E-01 2.205864E-01 4.810317E-02 569 235 1.553730E-01 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5.224016E-02 3.001299E-02 569 491 3.110240E-01 4.468964E-02 2.976704E-02 569 492 3.116320E-01 4.414181E-02 2.968899E-02 569 493 3.122400E-01 7.460273E-02 2.955044E-02 569 494 3.128480E-01 8.474375E-02 2.970576E-02 569 495 3.134560E-01 5.496080E-02 2.957786E-02 569 496 3.140640E-01 3.834224E-02 2.944430E-02 569 497 3.146710E-01 1.872643E-02 2.955530E-02 569 498 3.152790E-01 6.012780E-02 2.937220E-02 569 499 3.158870E-01 5.861377E-02 2.927140E-02 569 500 3.164950E-01 5.800666E-02 2.928385E-02 569 501 3.171030E-01 6.850339E-02 2.929718E-02 569 502 3.177110E-01 5.915157E-02 2.928060E-02 569 503 3.183190E-01 2.707415E-02 2.931813E-02 569 504 3.189270E-01 5.491864E-02 2.923423E-02 569 505 3.195350E-01 6.384831E-02 2.942231E-02 569 506 3.201430E-01 6.203599E-02 2.944633E-02 569 507 3.207510E-01 6.477687E-02 2.944301E-02 569 508 3.213590E-01 5.932849E-02 2.948668E-02 569 509 3.219670E-01 6.699793E-02 2.951905E-02 569 510 3.225740E-01 4.750173E-02 2.945209E-02 569 511 3.231820E-01 5.808340E-02 2.950541E-02 569 512 3.237900E-01 6.475908E-02 2.971147E-02 569 513 3.243980E-01 2.271313E-02 2.965254E-02 569 # _sas_p_of_R_details.id 569 _sas_p_of_R_details.intensity_id 569 _sas_p_of_R_details.software_p_of_R "GNOM 5.0" _sas_p_of_R_details.number_of_points 513 _sas_p_of_R_details.qmin 0.013075 _sas_p_of_R_details.qmax 0.324398 _sas_p_of_R_details.p_of_R_point_min 1 _sas_p_of_R_details.p_of_R_point_max 513 _sas_p_of_R_details.Rmin 0.0 _sas_p_of_R_details.Rmax 141.4 # loop_ _sas_p_of_R.id _sas_p_of_R.ordinal _sas_p_of_R.r _sas_p_of_R.P _sas_p_of_R.P_error 569 1 0.000000E+00 0.000000E+00 0.000000E+00 569 2 1.188000E+00 7.694000E-04 4.348000E-05 569 3 2.376000E+00 2.011000E-03 6.255000E-05 569 4 3.564000E+00 3.719000E-03 6.082000E-05 569 5 4.752000E+00 5.884000E-03 4.448000E-05 569 6 5.940000E+00 8.492000E-03 2.697000E-05 569 7 7.128000E+00 1.153000E-02 3.765000E-05 569 8 8.316000E+00 1.497000E-02 6.396000E-05 569 9 9.504000E+00 1.878000E-02 8.648000E-05 569 10 1.069000E+01 2.295000E-02 9.943000E-05 569 11 1.188000E+01 2.742000E-02 1.012000E-04 569 12 1.307000E+01 3.217000E-02 9.330000E-05 569 13 1.426000E+01 3.716000E-02 8.090000E-05 569 14 1.544000E+01 4.232000E-02 7.361000E-05 569 15 1.663000E+01 4.763000E-02 8.030000E-05 569 16 1.782000E+01 5.303000E-02 9.819000E-05 569 17 1.901000E+01 5.846000E-02 1.180000E-04 569 18 2.020000E+01 6.389000E-02 1.332000E-04 569 19 2.138000E+01 6.927000E-02 1.411000E-04 569 20 2.257000E+01 7.455000E-02 1.422000E-04 569 21 2.376000E+01 7.969000E-02 1.395000E-04 569 22 2.495000E+01 8.467000E-02 1.380000E-04 569 23 2.614000E+01 8.945000E-02 1.421000E-04 569 24 2.732000E+01 9.401000E-02 1.524000E-04 569 25 2.851000E+01 9.835000E-02 1.660000E-04 569 26 2.970000E+01 1.024000E-01 1.788000E-04 569 27 3.089000E+01 1.063000E-01 1.876000E-04 569 28 3.208000E+01 1.099000E-01 1.919000E-04 569 29 3.326000E+01 1.133000E-01 1.928000E-04 569 30 3.445000E+01 1.165000E-01 1.936000E-04 569 31 3.564000E+01 1.196000E-01 1.974000E-04 569 32 3.683000E+01 1.224000E-01 2.060000E-04 569 33 3.802000E+01 1.251000E-01 2.188000E-04 569 34 3.920000E+01 1.277000E-01 2.337000E-04 569 35 4.039000E+01 1.301000E-01 2.485000E-04 569 36 4.158000E+01 1.325000E-01 2.621000E-04 569 37 4.277000E+01 1.348000E-01 2.749000E-04 569 38 4.396000E+01 1.370000E-01 2.879000E-04 569 39 4.514000E+01 1.392000E-01 3.022000E-04 569 40 4.633000E+01 1.414000E-01 3.181000E-04 569 41 4.752000E+01 1.436000E-01 3.347000E-04 569 42 4.871000E+01 1.457000E-01 3.506000E-04 569 43 4.990000E+01 1.478000E-01 3.644000E-04 569 44 5.108000E+01 1.500000E-01 3.755000E-04 569 45 5.227000E+01 1.521000E-01 3.844000E-04 569 46 5.346000E+01 1.542000E-01 3.920000E-04 569 47 5.465000E+01 1.563000E-01 3.995000E-04 569 48 5.584000E+01 1.585000E-01 4.076000E-04 569 49 5.702000E+01 1.606000E-01 4.157000E-04 569 50 5.821000E+01 1.628000E-01 4.225000E-04 569 51 5.940000E+01 1.650000E-01 4.263000E-04 569 52 6.059000E+01 1.672000E-01 4.266000E-04 569 53 6.178000E+01 1.694000E-01 4.236000E-04 569 54 6.296000E+01 1.716000E-01 4.195000E-04 569 55 6.415000E+01 1.737000E-01 4.171000E-04 569 56 6.534000E+01 1.758000E-01 4.193000E-04 569 57 6.653000E+01 1.779000E-01 4.275000E-04 569 58 6.772000E+01 1.799000E-01 4.411000E-04 569 59 6.890000E+01 1.818000E-01 4.577000E-04 569 60 7.009000E+01 1.835000E-01 4.744000E-04 569 61 7.128000E+01 1.851000E-01 4.890000E-04 569 62 7.247000E+01 1.864000E-01 5.003000E-04 569 63 7.365000E+01 1.875000E-01 5.087000E-04 569 64 7.484000E+01 1.884000E-01 5.153000E-04 569 65 7.603000E+01 1.889000E-01 5.212000E-04 569 66 7.722000E+01 1.892000E-01 5.269000E-04 569 67 7.841000E+01 1.891000E-01 5.319000E-04 569 68 7.959000E+01 1.887000E-01 5.350000E-04 569 69 8.078000E+01 1.879000E-01 5.348000E-04 569 70 8.197000E+01 1.868000E-01 5.305000E-04 569 71 8.316000E+01 1.853000E-01 5.225000E-04 569 72 8.435000E+01 1.834000E-01 5.126000E-04 569 73 8.553000E+01 1.812000E-01 5.034000E-04 569 74 8.672000E+01 1.786000E-01 4.976000E-04 569 75 8.791000E+01 1.757000E-01 4.973000E-04 569 76 8.910000E+01 1.724000E-01 5.028000E-04 569 77 9.029000E+01 1.687000E-01 5.128000E-04 569 78 9.147000E+01 1.648000E-01 5.249000E-04 569 79 9.266000E+01 1.605000E-01 5.369000E-04 569 80 9.385000E+01 1.559000E-01 5.474000E-04 569 81 9.504000E+01 1.511000E-01 5.558000E-04 569 82 9.623000E+01 1.459000E-01 5.625000E-04 569 83 9.741000E+01 1.405000E-01 5.681000E-04 569 84 9.860000E+01 1.348000E-01 5.733000E-04 569 85 9.979000E+01 1.289000E-01 5.785000E-04 569 86 1.010000E+02 1.228000E-01 5.832000E-04 569 87 1.022000E+02 1.166000E-01 5.868000E-04 569 88 1.034000E+02 1.102000E-01 5.886000E-04 569 89 1.045000E+02 1.038000E-01 5.879000E-04 569 90 1.057000E+02 9.727000E-02 5.848000E-04 569 91 1.069000E+02 9.074000E-02 5.798000E-04 569 92 1.081000E+02 8.424000E-02 5.739000E-04 569 93 1.093000E+02 7.780000E-02 5.682000E-04 569 94 1.105000E+02 7.147000E-02 5.635000E-04 569 95 1.117000E+02 6.527000E-02 5.602000E-04 569 96 1.129000E+02 5.926000E-02 5.582000E-04 569 97 1.140000E+02 5.345000E-02 5.569000E-04 569 98 1.152000E+02 4.788000E-02 5.557000E-04 569 99 1.164000E+02 4.259000E-02 5.540000E-04 569 100 1.176000E+02 3.759000E-02 5.516000E-04 569 101 1.188000E+02 3.291000E-02 5.490000E-04 569 102 1.200000E+02 2.855000E-02 5.467000E-04 569 103 1.212000E+02 2.454000E-02 5.453000E-04 569 104 1.224000E+02 2.089000E-02 5.448000E-04 569 105 1.236000E+02 1.758000E-02 5.448000E-04 569 106 1.247000E+02 1.462000E-02 5.441000E-04 569 107 1.259000E+02 1.201000E-02 5.415000E-04 569 108 1.271000E+02 9.721000E-03 5.355000E-04 569 109 1.283000E+02 7.746000E-03 5.253000E-04 569 110 1.295000E+02 6.061000E-03 5.110000E-04 569 111 1.307000E+02 4.644000E-03 4.929000E-04 569 112 1.319000E+02 3.470000E-03 4.718000E-04 569 113 1.331000E+02 2.512000E-03 4.477000E-04 569 114 1.342000E+02 1.746000E-03 4.200000E-04 569 115 1.354000E+02 1.146000E-03 3.863000E-04 569 116 1.366000E+02 6.917000E-04 3.434000E-04 569 117 1.378000E+02 3.634000E-04 2.869000E-04 569 118 1.390000E+02 1.458000E-04 2.130000E-04 569 119 1.402000E+02 2.738000E-05 1.181000E-04 569 120 1.414000E+02 0.000000E+00 0.000000E+00 # loop_ _sas_p_of_R_extrapolated_intensity.id _sas_p_of_R_extrapolated_intensity.ordinal _sas_p_of_R_extrapolated_intensity.momentum_transfer _sas_p_of_R_extrapolated_intensity.intensity_reg 569 1 0.000000E+00 1.769470E+02 569 2 5.943180E-04 1.768920E+02 569 3 1.188640E-03 1.767260E+02 569 4 1.782950E-03 1.764510E+02 569 5 2.377270E-03 1.760670E+02 569 6 2.971590E-03 1.755730E+02 569 7 3.565910E-03 1.749720E+02 569 8 4.160230E-03 1.742640E+02 569 9 4.754550E-03 1.734490E+02 569 10 5.348860E-03 1.725310E+02 569 11 5.943180E-03 1.715090E+02 569 12 6.537500E-03 1.703860E+02 569 13 7.131820E-03 1.691630E+02 569 14 7.726140E-03 1.678430E+02 569 15 8.320450E-03 1.664280E+02 569 16 8.914770E-03 1.649190E+02 569 17 9.509090E-03 1.633200E+02 569 18 1.010340E-02 1.616320E+02 569 19 1.069770E-02 1.598590E+02 569 20 1.129200E-02 1.580030E+02 569 21 1.188640E-02 1.560680E+02 569 22 1.248070E-02 1.540560E+02 569 23 1.307500E-02 1.519700E+02 569 24 1.368300E-02 1.497640E+02 569 25 1.429100E-02 1.474870E+02 569 26 1.489900E-02 1.451440E+02 569 27 1.550700E-02 1.427380E+02 569 28 1.611500E-02 1.402740E+02 569 29 1.672400E-02 1.377500E+02 569 30 1.733200E-02 1.351800E+02 569 31 1.794000E-02 1.325620E+02 569 32 1.854800E-02 1.299010E+02 569 33 1.915600E-02 1.272010E+02 569 34 1.976400E-02 1.244660E+02 569 35 2.037200E-02 1.217000E+02 569 36 2.098000E-02 1.189070E+02 569 37 2.158900E-02 1.160860E+02 569 38 2.219700E-02 1.132520E+02 569 39 2.280500E-02 1.104020E+02 569 40 2.341300E-02 1.075420E+02 569 41 2.402100E-02 1.046740E+02 569 42 2.462900E-02 1.018040E+02 569 43 2.523700E-02 9.893440E+01 569 44 2.584500E-02 9.606920E+01 569 45 2.645400E-02 9.320750E+01 569 46 2.706200E-02 9.036240E+01 569 47 2.767000E-02 8.753250E+01 569 48 2.827800E-02 8.472140E+01 569 49 2.888600E-02 8.193230E+01 569 50 2.949400E-02 7.916850E+01 569 51 3.010200E-02 7.643300E+01 569 52 3.071000E-02 7.372880E+01 569 53 3.131900E-02 7.105460E+01 569 54 3.192700E-02 6.842170E+01 569 55 3.253500E-02 6.582830E+01 569 56 3.314300E-02 6.327710E+01 569 57 3.375100E-02 6.077020E+01 569 58 3.435900E-02 5.830990E+01 569 59 3.496700E-02 5.589840E+01 569 60 3.557500E-02 5.353740E+01 569 61 3.618400E-02 5.122500E+01 569 62 3.679200E-02 4.897050E+01 569 63 3.740000E-02 4.677150E+01 569 64 3.800800E-02 4.462930E+01 569 65 3.861600E-02 4.254520E+01 569 66 3.922400E-02 4.052020E+01 569 67 3.983200E-02 3.855520E+01 569 68 4.044000E-02 3.665090E+01 569 69 4.104900E-02 3.480510E+01 569 70 4.165700E-02 3.302420E+01 569 71 4.226500E-02 3.130560E+01 569 72 4.287300E-02 2.964930E+01 569 73 4.348100E-02 2.805560E+01 569 74 4.408900E-02 2.652430E+01 569 75 4.469700E-02 2.505520E+01 569 76 4.530500E-02 2.364810E+01 569 77 4.591400E-02 2.230040E+01 569 78 4.652200E-02 2.101600E+01 569 79 4.713000E-02 1.979200E+01 569 80 4.773800E-02 1.862750E+01 569 81 4.834600E-02 1.752190E+01 569 82 4.895400E-02 1.647400E+01 569 83 4.956200E-02 1.548300E+01 569 84 5.017000E-02 1.454760E+01 569 85 5.077900E-02 1.366530E+01 569 86 5.138700E-02 1.283780E+01 569 87 5.199500E-02 1.206200E+01 569 88 5.260300E-02 1.133680E+01 569 89 5.321100E-02 1.066050E+01 569 90 5.381900E-02 1.003170E+01 569 91 5.442700E-02 9.448890E+00 569 92 5.503500E-02 8.910370E+00 569 93 5.564400E-02 8.413770E+00 569 94 5.625200E-02 7.959040E+00 569 95 5.686000E-02 7.543650E+00 569 96 5.746800E-02 7.165890E+00 569 97 5.807600E-02 6.824040E+00 569 98 5.868400E-02 6.516350E+00 569 99 5.929200E-02 6.241130E+00 569 100 5.990000E-02 5.996600E+00 569 101 6.050900E-02 5.780720E+00 569 102 6.111700E-02 5.592480E+00 569 103 6.172500E-02 5.429800E+00 569 104 6.233300E-02 5.291000E+00 569 105 6.294100E-02 5.174410E+00 569 106 6.354900E-02 5.078400E+00 569 107 6.415700E-02 5.001370E+00 569 108 6.476500E-02 4.941740E+00 569 109 6.537400E-02 4.897940E+00 569 110 6.598200E-02 4.868600E+00 569 111 6.659000E-02 4.852190E+00 569 112 6.719800E-02 4.847260E+00 569 113 6.780600E-02 4.852590E+00 569 114 6.841400E-02 4.866730E+00 569 115 6.902200E-02 4.888480E+00 569 116 6.963000E-02 4.916630E+00 569 117 7.023800E-02 4.950030E+00 569 118 7.084700E-02 4.987650E+00 569 119 7.145500E-02 5.028330E+00 569 120 7.206300E-02 5.071150E+00 569 121 7.267100E-02 5.115180E+00 569 122 7.327900E-02 5.159570E+00 569 123 7.388700E-02 5.203490E+00 569 124 7.449500E-02 5.246210E+00 569 125 7.510300E-02 5.287030E+00 569 126 7.571200E-02 5.325370E+00 569 127 7.632000E-02 5.360540E+00 569 128 7.692800E-02 5.392080E+00 569 129 7.753600E-02 5.419510E+00 569 130 7.814400E-02 5.442430E+00 569 131 7.875200E-02 5.460470E+00 569 132 7.936000E-02 5.473320E+00 569 133 7.996800E-02 5.480700E+00 569 134 8.057600E-02 5.482450E+00 569 135 8.118500E-02 5.478340E+00 569 136 8.179300E-02 5.468280E+00 569 137 8.240100E-02 5.452180E+00 569 138 8.300900E-02 5.430000E+00 569 139 8.361700E-02 5.401730E+00 569 140 8.422500E-02 5.367410E+00 569 141 8.483300E-02 5.327130E+00 569 142 8.544100E-02 5.280960E+00 569 143 8.604900E-02 5.229040E+00 569 144 8.665800E-02 5.171420E+00 569 145 8.726600E-02 5.108470E+00 569 146 8.787400E-02 5.040320E+00 569 147 8.848200E-02 4.967180E+00 569 148 8.909000E-02 4.889310E+00 569 149 8.969800E-02 4.806960E+00 569 150 9.030600E-02 4.720410E+00 569 151 9.091400E-02 4.629940E+00 569 152 9.152200E-02 4.535860E+00 569 153 9.213100E-02 4.438300E+00 569 154 9.273900E-02 4.337950E+00 569 155 9.334700E-02 4.234830E+00 569 156 9.395500E-02 4.129390E+00 569 157 9.456300E-02 4.021920E+00 569 158 9.517100E-02 3.912730E+00 569 159 9.577900E-02 3.802140E+00 569 160 9.638700E-02 3.690470E+00 569 161 9.699500E-02 3.578020E+00 569 162 9.760400E-02 3.464920E+00 569 163 9.821200E-02 3.351830E+00 569 164 9.882000E-02 3.238860E+00 569 165 9.942800E-02 3.126280E+00 569 166 1.000360E-01 3.014350E+00 569 167 1.006440E-01 2.903350E+00 569 168 1.012520E-01 2.793490E+00 569 169 1.018600E-01 2.685050E+00 569 170 1.024680E-01 2.578200E+00 569 171 1.030770E-01 2.473010E+00 569 172 1.036850E-01 2.369980E+00 569 173 1.042930E-01 2.269140E+00 569 174 1.049010E-01 2.170650E+00 569 175 1.055090E-01 2.074640E+00 569 176 1.061170E-01 1.981250E+00 569 177 1.067250E-01 1.890590E+00 569 178 1.073330E-01 1.802780E+00 569 179 1.079410E-01 1.717890E+00 569 180 1.085500E-01 1.635870E+00 569 181 1.091580E-01 1.557040E+00 569 182 1.097660E-01 1.481310E+00 569 183 1.103740E-01 1.408720E+00 569 184 1.109820E-01 1.339280E+00 569 185 1.115900E-01 1.273000E+00 569 186 1.121980E-01 1.209880E+00 569 187 1.128060E-01 1.149890E+00 569 188 1.134140E-01 1.093010E+00 569 189 1.140220E-01 1.039200E+00 569 190 1.146310E-01 9.883370E-01 569 191 1.152390E-01 9.405220E-01 569 192 1.158470E-01 8.956070E-01 569 193 1.164550E-01 8.535210E-01 569 194 1.170630E-01 8.141840E-01 569 195 1.176710E-01 7.775580E-01 569 196 1.182790E-01 7.434080E-01 569 197 1.188870E-01 7.117810E-01 569 198 1.194950E-01 6.825320E-01 569 199 1.201030E-01 6.555490E-01 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