SASDX48

SmThrRS model based on PDB entries 6vu9 and 1qf6

数据类型:SASBDB 实验数据 状态:Published 曲线类型:Single concentration 最后更新:2025-09-22T09:36:25.172022+02:00

The trace was processed with Chromixs. The IFT was computed in BioXtas-RAW 2.3.0. The Dmax was set to 162 Angstroms. GNOM gives a similar Dmax at a qmax of 0.3 A^-1.

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1. 样品、组分与实验条件 Sample & Experiment

样品 1 · SmThrRS model based on PDB entries 6vu9 and 1qf6

浓度— – 3.1 缓冲液 / pH20 mM HEPES, 0.2 M NaCl, 1.5% v/v glycerol, and 1 mM TCEP / 7.0
实验温度20.0 设备 / 束线Advanced Light Source (ALS) / 12.3.1 (SIBYLS)
波长0.1127 nm曝光2.0 s × 660

分子组分

组分类型 / 物种UniProt 与构建体寡聚状态分子量
Stenotrophomonas maltophilia threonyl tRNA synthetase
查看序列
>6VU9_1|CHAINA|THREONINE--TRNALIGASE|STENOTROPHOMONASMALTOPHILIA(STRAINK279A)(522373)MAHHHHHHMINITLPDGSRREFENPVSVMEVAQSIGAGLAKATIAGAVDGVLVDASDVIDHDASLRIITAKDEEGVEIIRHSCAHLVGHAVKQLYPDVKMVIGPVIAEGFYYDIYSERPFTPDDMAAIEKRMGELIAQDYDVIKKMTPRAEVIEIFKARGEDYKLRLIEDMSEDIQAMGMYYHQEYVDMCRGPHVPNTRFLKAFKLTRISGAYWRGDAQNEQLQRIYGTAWADKKQLEAYIKRIEEAEMRDHRRIGKQQDLFHLQEEAPGLVFWHPKGWALWQVVEQYMRKVYRNSGYGEVRCPQILDVSLWKKSGHWDNYQDNMFFTESEKRTYAVKPMNCPGHIQVFNQGLHSYRDLPIRYGEFGSCHRNEPSGALHGILRVRGFTQDDGHVFCTENQIESEVTAFHQQALAVYQHFGFDEIQIKIALRPESRLGDDATWDKAEGALRSALTACGVEWQELPGEGAFYGPKIEYHLKDAIGRTWQLGTMQVDFMMPGRLGAEYVDENSQKKHPVMLHRAIVGSMERFLGILIEHHAGQFPAWLAPTQVVVANITDAQADYVSGVTKTLAEQGFRVSSDLRNEKIGYKIREHTLQRVPYLLVIGDREKENGAVAVRTRSGEDLGSMSLQAFIERLHAEGA
protein—B2FN79—–—dimer分子数 272.937 kDa

实验曲线

曲线点数 / 列q 范围误差质量负强度点来源文件
1911[3]0.011361–0.470664 1/A含误差列缺失 014sasbdb/entries/48/sasdx48/source/SASDX48.dat
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2. SASBDB 报告的指标 Reported Results

指标方法数值误差单位
i0Guinier64.3829—arbitrary
mwExperimental141.1—kDa
rgGuinier4.1850.013Å

这些数值是 SASBDB 来源记录,不是 SAXSdb 对实验曲线重新计算的结果。

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3. 来源拟合与模型 Source Fits & Models

拟合 2 · FoXS

χ²:0.60895CorMap p:0.0034单位:1/A

Conformation having the lowest chi squared within the ensemble.

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4. 来源文件索引 Source Files

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5. 实验说明与论文 Experiment & Publication

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6. 完整来源记录 Complete Source Record

下列内容直接来自 SASBDB 条目。字段没有值时显示“—”;未声明的单位不会由 SAXSdb 猜测。

打开 SASBDB 原始条目

缓冲液与样品属性

缓冲液名称20 mM HEPES, 0.2 M NaCl, 1.5% v/v glycerol, and 1 mM TCEP缓冲液浓度—
pH7.0添加剂—
缓冲液说明—
纯度测定方法—消光系数—
吸收值—散射对比度—
比体积 / 干体积— / —混合物 / 氘代— / —

采集条件与仪器

测量日期2024-11-07储存 / 测量温度4.0 / 20.0
曝光时间2.0帧数660
波长0.1127样品-探测器距离2.1
光源X-ray synchrotron探测器Pilatus3 X 2M
机构 / 束线Advanced Light Source (ALS) / 12.3.1 (SIBYLS) · Berkeley, CA, USA
q 范围0.114 – 4.707样品体积 / 流速— / —

SASBDB 原始图

实验 I(q)
实验 I(q)
实验 I(q) log-log
实验 I(q) log-log
Guinier 图
Guinier 图
Kratky 图
Kratky 图
P(r) 图
P(r) 图

可下载文件

类别文件状态大小校验值下载与查看
curvesasbdb/entries/48/sasdx48/source/SASDX48.datdownloaded43569e51501e862110d295fabfcca99a0d596ee1b785dca3d016538dd80b8222ddee3下载查看原文件源站
full_entry_zipsasbdb/entries/48/sasdx48/source/SASDX48.zipdownloaded762238044e11b5016f43fbcbb295b451a488d52cc45bacbab7c76fcfdec45f466c82e4下载查看原文件源站
pddfsasbdb/entries/48/sasdx48/source/SASDX48.outdownloaded16004530b96835818cb3eeeca13c5f98ccb1e91a7d761996481be7d525a3550eca5f3d下载查看原文件源站
sascifsasbdb/entries/48/sasdx48/source/SASDX48.sascifnot_available——下载查看原文件源站
summarysasbdb/entries/48/sasdx48/source/summary.jsondownloaded8794705c9114f39dbee807ed350873d9aacb8378778cf05c869a5ac9cd2aad02f603下载查看原文件源站
curve:来源记录
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full_entry_zip:来源记录与 ZIP 内部目录(5 项)
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pddf:来源记录
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sascif:来源记录
{
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summary:来源记录
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全部来源字段(无筛选)

这里自动展开来源记录中的每一个字段,包括空值、列表成员和页面上方已展示过的字段。

summary.json:164 个字段值
字段路径原始值
codeSASDX48
statusPublished
type_of_curveSingle concentration
angular_unit1/A
project.titleCrystal structure of a complete threonyl tRNA synthetase: toggle clamp model?
project.publication.titleCrystal structure of a complete threonyl tRNA synthetase: toggle clamp model?
project.publication.author_listTran T, Fenwick M, Edwards T, Dranow D, Abendroth J, Shek R, Tillery L, Craig J, Van Voorhis W, Myler P
project.publication.journalBiochemical and Biophysical Research Communications
project.publication.doi10.1016/j.bbrc.2025.152677
project.publication.pmidnull
project.publication.published_date2025 Sep
project.statusreleased
project.submitted_date2025-08-22
project.released_date2025-09-22
pddf_datahttps://www.sasbdb.org/media/p_of_R_files/SASDX48.ift
intensities_datahttps://www.sasbdb.org/media/intensities_files/SASDX48.dat
intensities_log_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX48_dat_img.png
intensities_kratky_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX48_kratky_img.png
pddf_plothttps://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDX48_pofr_img.png
intensities_guinier_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX48_guinier_img.png
sascif_datahttps://www.sasbdb.org/media/sascif/sascif_files/SASDX48.sascif
experiment.instrument.detector.typenull
experiment.instrument.detector.namePilatus3 X 2M
experiment.instrument.detector.resolution172.0
experiment.instrument.nameAdvanced Light Source (ALS)
experiment.instrument.cityBerkeley, CA
experiment.instrument.countryUSA
experiment.instrument.beamline_name12.3.1 (SIBYLS)
experiment.instrument.beam_geometry
experiment.instrument.type_of_sourceX-ray synchrotron
experiment.instrument.point_sourcenull
experiment.instrument.line_collimationnull
experiment.instrument.sample_path_lengthnull
experiment.instrument.line_collimation_slitlengthnull
experiment.instrument.line_collimation_integrationwidthnull
experiment.instrument.xray_energynull
experiment.instrument.beam_profile_ahnull
experiment.instrument.beam_profile_alnull
experiment.sample.molecule[0].long_nameStenotrophomonas maltophilia threonyl tRNA synthetase
experiment.sample.molecule[0].short_nameSmThrRS
experiment.sample.molecule[0].sequence>6VU9_1|Chain A|Threonine--tRNA ligase|Stenotrophomonas maltophilia (strain K279a) (522373) MAHHHHHHMINITLPDGSRREFENPVSVMEVAQSIGAGLAKATIAGAVDGVLVDASDVIDHDASLRIITAKDEEGVEIIRHSCAHLVGHAVKQLYPDVKMVIGPVIAEGFYYDIYSERPFTPDDMAAIEKRMGELIAQDYDVIKKMTPRAEVIEIFKARGEDYKLRLIEDMSEDIQAMGMYYHQEYVDMCRGPHVPNTRFLKAFKLTRISGAYWRGDAQNEQLQRIYGTAWADKKQLEAYIKRIEEAEMRDHRRIGKQQDLFHLQEEAPGLVFWHPKGWALWQVVEQYMRKVYRNSGYGEVRCPQILDVSLWKKSGHWDNYQDNMFFTESEKRTYAVKPMNCPGHIQVFNQGLHSYRDLPIRYGEFGSCHRNEPSGALHGILRVRGFTQDDGHVFCTENQIESEVTAFHQQALAVYQHFGFDEIQIKIALRPESRLGDDATWDKAEGALRSALTACGVEWQELPGEGAFYGPKIEYHLKDAIGRTWQLGTMQVDFMMPGRLGAEYVDENSQKKHPVMLHRAIVGSMERFLGILIEHHAGQFPAWLAPTQVVVANITDAQADYVSGVTKTLAEQGFRVSSDLRNEKIGYKIREHTLQRVPYLLVIGDREKENGAVAVRTRSGEDLGSMSLQAFIERLHAEGA
experiment.sample.molecule[0].organismnull
experiment.sample.molecule[0].uniprot_codeB2FN79
experiment.sample.molecule[0].uniprot_range_firstnull
experiment.sample.molecule[0].uniprot_range_lastnull
experiment.sample.molecule[0].oligomerizationdimer
experiment.sample.molecule[0].molecular_typeprotein
experiment.sample.molecule[0].uniprot_sequenceMINITLPDGSRREFENPVSVMEVAQSIGAGLAKATIAGAVDGVLVDASDVIDHDASLRII TAKDEEGVEIIRHSCAHLVGHAVKQLYPDVKMVIGPVIAEGFYYDIYSERPFTPDDMAAI EKRMGELIAQDYDVIKKMTPRAEVIEIFKARGEDYKLRLIEDMSEDIQAMGMYYHQEYVD MCRGPHVPNTRFLKAFKLTRISGAYWRGDAQNEQLQRIYGTAWADKKQLEAYIKRIEEAE MRDHRRIGKQQDLFHLQEEAPGLVFWHPKGWALWQVVEQYMRKVYRNSGYGEVRCPQILD VSLWKKSGHWDNYQDNMFFTESEKRTYAVKPMNCPGHIQVFNQGLHSYRDLPIRYGEFGS CHRNEPSGALHGILRVRGFTQDDGHVFCTENQIESEVTAFHQQALAVYQHFGFDEIQIKI ALRPESRLGDDATWDKAEGALRSALTACGVEWQELPGEGAFYGPKIEYHLKDAIGRTWQL GTMQVDFMMPGRLGAEYVDENSQKKHPVMLHRAIVGSMERFLGILIEHHAGQFPAWLAPT QVVVANITDAQADYVSGVTKTLAEQGFRVSSDLRNEKIGYKIREHTLQRVPYLLVIGDRE KENGAVAVRTRSGEDLGSMSLQAFIERLHAEGA
experiment.sample.molecule[0].mw72.937
experiment.sample.molecule[0].total_mw145.874
experiment.sample.molecule[0].number_molecules2
experiment.sample.molecule[0].complex_stateFalse
experiment.sample.molecule[0].deuterationnull
experiment.sample.molecule[0].molecule_sourcebiological
experiment.sample.molecule[0].molecule_descriptionStenotrophomonas maltophilia threonyl tRNA synthetase with non-cleavable N-terminal purification tag 'MAHHHHHH'. The associated PDB entry is 6VU9. The first ten residues are modeled in all-atom format using Ranch, Pulchra, Scwrl, and Chimera. The Chimera morph tool was used to obtain an interpolation between the open and closed states in entries 6VU9 and 1QF6. The I vs q fit is an average of 100 fitted curves for 100 conformations based on this interpolation. The instance having the lowest chi squared value is also included.
experiment.sample.buffer.name20 mM HEPES, 0.2 M NaCl, 1.5% v/v glycerol, and 1 mM TCEP
experiment.sample.buffer.concentration_unitnull
experiment.sample.buffer.commentnull
experiment.sample.buffer.additivenull
experiment.sample.buffer.concentrationnull
experiment.sample.buffer.pkanull
experiment.sample.buffer.ph7.0
experiment.sample.buffer.deuterationnull
experiment.sample.purity_methodnull
experiment.sample.nameSmThrRS model based on PDB entries 6vu9 and 1qf6
experiment.sample.ext_coefficientnull
experiment.sample.contrastnull
experiment.sample.specific_volnull
experiment.sample.dry_volnull
experiment.sample.absorbptionnull
experiment.sample.deuterationnull
experiment.sample.mixturenull
experiment.contributor[]
experiment.concentration_methodnull
experiment.concentration_unitnull
experiment.date2024-11-07
experiment.storage_temperature4.0
experiment.cell_temperature20.0
experiment.exposure_time2.0
experiment.number_of_frames660
experiment.wavelength0.1127
experiment.sample_detector_distance2.1
experiment.concentration_minnull
experiment.concentration_max3.1
experiment.sample_volumenull
experiment.flow_ratenull
experiment.s_min0.114
experiment.s_max4.707
experiment.total_exposure_timenull
experiment.seccolumnnull
fits[0].models[0].model_plothttps://www.sasbdb.org/media/pdb_file/images/SASDX48_fit1_model1_img.png
fits[0].models[0].softwarePDB (Protein Data Bank)
fits[0].models[0].pdb_link[0].pdb_code6vu9
fits[0].models[0].pdb_link[0].ext_code6VU9
fits[0].models[0].pdb_link[0].ext_typepdb
fits[0].models[0].pdb_link[0].difference_with_modelidentical
fits[0].models[0].model_titlenull
fits[0].models[0].type_of_modelatomic
fits[0].models[0].software_versionnull
fits[0].models[0].model_datahttps://www.sasbdb.org/media/pdb_file/SASDX48_fit1_model1.pdb
fits[0].models[0].model_mw146.0
fits[0].models[0].bead_radiusnull
fits[0].models[0].lognull
fits[0].models[0].symmetrynull
fits[0].models[0].commentEnsemble model
fits[0].models[0].user1185
fits[0].fit_unit1/A
fits[0].fit_plothttps://www.sasbdb.org/media/fitting_files/scattering_plots/SASDX48_fit1_fixed_fit_img.png
fits[0].softwareFoXS
fits[0].chi_square_value0.714975
fits[0].p_value0.0
fits[0].fit_residual_plotSASDX48_fit1_fitresiduals_img.png
fits[0].fit_datahttps://www.sasbdb.org/media/fitting_files/SASDX48_fit1.fit
fits[0].fit_lognull
fits[0].software_versionnull
fits[0].description
fits[1].models[]
fits[1].fit_unit1/A
fits[1].fit_plothttps://www.sasbdb.org/media/fitting_files/scattering_plots/SASDX48_fit2_fixed_fit_img.png
fits[1].softwareFoXS
fits[1].chi_square_value0.60895
fits[1].p_value0.0034
fits[1].fit_residual_plotSASDX48_fit2_fitresiduals_img.png
fits[1].fit_datahttps://www.sasbdb.org/media/fitting_files/SASDX48_fit2.fit
fits[1].fit_lognull
fits[1].software_versionnull
fits[1].descriptionConformation having the lowest chi squared within the ensemble.
estimated_volume_methodnull
pddf_softwareBioXTAS RAW
pddf_software_versionnull
i0_calibration_standardnull
descriptionThe trace was processed with Chromixs. The IFT was computed in BioXtas-RAW 2.3.0. The Dmax was set to 162 Angstroms. GNOM gives a similar Dmax at a qmax of 0.3 A^-1.
experiment_descriptionnull
tags[]
intensity_unitarbitrary
experimental_mw141.1
experimental_mw_errornull
guinier_i0_mwnull
guinier_i0_mw_errornull
porod_mwnull
porod_mw_errornull
pddf_i0null
pddf_i0_errornull
guinier_i064.3829
guinier_i0_errornull
pddf_rgnull
pddf_rg_errornull
guinier_rg4.185
guinier_rg_error0.013
pddf_dmaxnull
pddf_dmax_errornull
porod_volumenull
porod_volume_errornull
estimated_volumenull
estimated_volume_errornull
guinier_point_first10
guinier_point_last40
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDX48_datloglog_img.png
symmetrynull
last_modified2025-09-22T09:36:25.172022+02:00
bragg_peak[]
manifest.json:34 个字段值
字段路径原始值
codeSASDX48
statussuccess
started_at2026-08-11T15:45:58.335386+00:00
finished_at2026-08-11T15:46:07.183181+00:00
source_last_modified2025-09-22T09:36:25.172022+02:00
files[0].statusdownloaded
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files[4].zip_validationcentral_directory_readable
查看完整 summary.json 原文
{
  "code": "SASDX48",
  "status": "Published",
  "type_of_curve": "Single concentration",
  "angular_unit": "1/A",
  "project": {
    "title": "Crystal structure of a complete threonyl tRNA synthetase: toggle clamp model?",
    "publication": {
      "title": "Crystal structure of a complete threonyl tRNA synthetase: toggle clamp model?",
      "author_list": "Tran T, Fenwick M, Edwards T, Dranow D, Abendroth J, Shek R, Tillery L, Craig J, Van Voorhis W, Myler P",
      "journal": "Biochemical and Biophysical Research Communications",
      "doi": "10.1016/j.bbrc.2025.152677",
      "pmid": null,
      "published_date": "2025 Sep"
    },
    "status": "released",
    "submitted_date": "2025-08-22",
    "released_date": "2025-09-22"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDX48.ift",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDX48.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX48_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX48_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDX48_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX48_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDX48.sascif",
  "experiment": {
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        "resolution": 172.0
      },
      "name": "Advanced Light Source (ALS)",
      "city": "Berkeley, CA",
      "country": "USA",
      "beamline_name": "12.3.1 (SIBYLS)",
      "beam_geometry": "",
      "type_of_source": "X-ray synchrotron",
      "point_source": null,
      "line_collimation": null,
      "sample_path_length": null,
      "line_collimation_slitlength": null,
      "line_collimation_integrationwidth": null,
      "xray_energy": null,
      "beam_profile_ah": null,
      "beam_profile_al": null
    },
    "sample": {
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        {
          "long_name": "Stenotrophomonas maltophilia threonyl tRNA synthetase",
          "short_name": "SmThrRS",
          "sequence": ">6VU9_1|Chain A|Threonine--tRNA ligase|Stenotrophomonas maltophilia (strain K279a) (522373)\r\nMAHHHHHHMINITLPDGSRREFENPVSVMEVAQSIGAGLAKATIAGAVDGVLVDASDVIDHDASLRIITAKDEEGVEIIRHSCAHLVGHAVKQLYPDVKMVIGPVIAEGFYYDIYSERPFTPDDMAAIEKRMGELIAQDYDVIKKMTPRAEVIEIFKARGEDYKLRLIEDMSEDIQAMGMYYHQEYVDMCRGPHVPNTRFLKAFKLTRISGAYWRGDAQNEQLQRIYGTAWADKKQLEAYIKRIEEAEMRDHRRIGKQQDLFHLQEEAPGLVFWHPKGWALWQVVEQYMRKVYRNSGYGEVRCPQILDVSLWKKSGHWDNYQDNMFFTESEKRTYAVKPMNCPGHIQVFNQGLHSYRDLPIRYGEFGSCHRNEPSGALHGILRVRGFTQDDGHVFCTENQIESEVTAFHQQALAVYQHFGFDEIQIKIALRPESRLGDDATWDKAEGALRSALTACGVEWQELPGEGAFYGPKIEYHLKDAIGRTWQLGTMQVDFMMPGRLGAEYVDENSQKKHPVMLHRAIVGSMERFLGILIEHHAGQFPAWLAPTQVVVANITDAQADYVSGVTKTLAEQGFRVSSDLRNEKIGYKIREHTLQRVPYLLVIGDREKENGAVAVRTRSGEDLGSMSLQAFIERLHAEGA",
          "organism": null,
          "uniprot_code": "B2FN79",
          "uniprot_range_first": null,
          "uniprot_range_last": null,
          "oligomerization": "dimer",
          "molecular_type": "protein",
          "uniprot_sequence": "MINITLPDGSRREFENPVSVMEVAQSIGAGLAKATIAGAVDGVLVDASDVIDHDASLRII\nTAKDEEGVEIIRHSCAHLVGHAVKQLYPDVKMVIGPVIAEGFYYDIYSERPFTPDDMAAI\nEKRMGELIAQDYDVIKKMTPRAEVIEIFKARGEDYKLRLIEDMSEDIQAMGMYYHQEYVD\nMCRGPHVPNTRFLKAFKLTRISGAYWRGDAQNEQLQRIYGTAWADKKQLEAYIKRIEEAE\nMRDHRRIGKQQDLFHLQEEAPGLVFWHPKGWALWQVVEQYMRKVYRNSGYGEVRCPQILD\nVSLWKKSGHWDNYQDNMFFTESEKRTYAVKPMNCPGHIQVFNQGLHSYRDLPIRYGEFGS\nCHRNEPSGALHGILRVRGFTQDDGHVFCTENQIESEVTAFHQQALAVYQHFGFDEIQIKI\nALRPESRLGDDATWDKAEGALRSALTACGVEWQELPGEGAFYGPKIEYHLKDAIGRTWQL\nGTMQVDFMMPGRLGAEYVDENSQKKHPVMLHRAIVGSMERFLGILIEHHAGQFPAWLAPT\nQVVVANITDAQADYVSGVTKTLAEQGFRVSSDLRNEKIGYKIREHTLQRVPYLLVIGDRE\nKENGAVAVRTRSGEDLGSMSLQAFIERLHAEGA",
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          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": "Stenotrophomonas maltophilia threonyl tRNA synthetase with non-cleavable N-terminal purification tag 'MAHHHHHH'. The associated PDB entry is 6VU9. The first ten residues are modeled in all-atom format using Ranch, Pulchra, Scwrl, and Chimera. The Chimera morph tool was used to obtain an interpolation between the open and closed states in entries 6VU9 and 1QF6. The I vs q fit is an average of 100 fitted curves for 100 conformations based on this interpolation. The instance having the lowest chi squared value is also included."
        }
      ],
      "buffer": {
        "name": "20 mM HEPES, 0.2 M NaCl, 1.5% v/v glycerol, and 1 mM TCEP",
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        "comment": null,
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        "concentration": null,
        "pka": null,
        "ph": 7.0,
        "deuteration": null
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      "purity_method": null,
      "name": "SmThrRS model based on PDB entries 6vu9 and 1qf6",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
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    "contributor": [],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2024-11-07",
    "storage_temperature": 4.0,
    "cell_temperature": 20.0,
    "exposure_time": 2.0,
    "number_of_frames": 660,
    "wavelength": 0.1127,
    "sample_detector_distance": 2.1,
    "concentration_min": null,
    "concentration_max": 3.1,
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    "s_max": 4.707,
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          "software": "PDB (Protein Data Bank)",
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            {
              "pdb_code": "6vu9",
              "ext_code": "6VU9",
              "ext_type": "pdb",
              "difference_with_model": "identical"
            }
          ],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": null,
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDX48_fit1_model1.pdb",
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          "comment": "Ensemble model",
          "user": 1185
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      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDX48_fit1_fixed_fit_img.png",
      "software": "FoXS",
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      "fit_residual_plot": "SASDX48_fit1_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDX48_fit1.fit",
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      "software": "FoXS",
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      "fit_residual_plot": "SASDX48_fit2_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDX48_fit2.fit",
      "fit_log": null,
      "software_version": null,
      "description": "Conformation having the lowest chi squared within the ensemble."
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  "estimated_volume_method": null,
  "pddf_software": "BioXTAS RAW",
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  "description": "The trace was processed with Chromixs. The IFT was computed in BioXtas-RAW 2.3.0. The Dmax was set to 162 Angstroms. GNOM gives a similar Dmax at a qmax of 0.3 A^-1.",
  "experiment_description": null,
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  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDX48_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2025-09-22T09:36:25.172022+02:00",
  "bragg_peak": []
}
查看完整 manifest.json 原文
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  "started_at": "2026-08-11T15:45:58.335386+00:00",
  "finished_at": "2026-08-11T15:46:07.183181+00:00",
  "source_last_modified": "2025-09-22T09:36:25.172022+02:00",
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