SASDFZ3

Escherichia coli YjhC

数据类型:SASBDB 实验数据 状态:Published 曲线类型:SEC-SAS 最后更新:2019-12-06T13:07:15.624532+01:00
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1. 样品、组分与实验条件 Sample & Experiment

样品 1 · Escherichia coli YjhC

浓度— – 8.0 缓冲液 / pH20 mM Tris, 150 mM NaCl, 0.1 % (w/v) sodium azide, 5 % (v/v) glycerol / 8.0
实验温度12.0 设备 / 束线Australian Synchrotron / SAXS/WAXS
波长0.10332 nm曝光1.0 s × 400

分子组分

组分类型 / 物种UniProt 与构建体寡聚状态分子量
Escherichia coli YjhC
查看序列
>YJHCHHHHHHSSGLVPRGSMINYGVVGVGYFGAELARFMNMHDNAKITCVYDPENGENIARELQCINMSSLDALVSSKLVDCVIVATPNYLHKEPVIKAAKNKKHVFCEKPIALSYEDCVDMVKACKEAGVTFMAGHIMNFFNGVQYARKLIKEGVIGEILSCHTKRNGWENKQERLSWKKMKEQSGGHLYHHIHELDCVQHLLGEIPETVTMIGGNLAHSGPGFGNEDDMLFMTLEFPSGKLATLEWGSAFNWPEHYVIINGTKGSIKIDMQETAGSLRIGGQTKHFLVHETQEEDDDRRKGNMTSEMDGAIAYGHPGKKTPLWLASLIRKETLFLHNILCGAKPEEDYIDLLNGEAAMSAIATADAATLSRSQDRKVKISEIIKHTSVM
proteinEscherichia coli——–—dimer分子数 243.048 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
1670[3]0.012069–0.50014 1/A含误差列缺失 02sasbdb/entries/z3/sasdfz3/source/SASDFZ3.dat
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2. SASBDB 报告的指标 Reported Results

指标方法数值误差单位
dmaxP(r)10.71—Å
i0Guinier0.0490.00011/cm
i0P(r)0.049251.424e-051/cm
mwExperimental84.5—kDa
mwPorod81.0—kDa
porod_volumePorod130.0—ų
rgGuinier3.1140.036Å
rgP(r)3.180.013Å

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

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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 Tris, 150 mM NaCl, 0.1 % (w/v) sodium azide, 5 % (v/v) glycerol缓冲液浓度—
pH8.0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2018-04-12储存 / 测量温度4.0 / 12.0
曝光时间1.0帧数400
波长0.10332样品-探测器距离1.6
光源X-ray synchrotron探测器Pilatus 1M
机构 / 束线Australian Synchrotron / SAXS/WAXS · Melbourne, Australia
q 范围0.121 – 5.001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
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curve:来源记录
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full_entry_zip:来源记录与 ZIP 内部目录(4 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:159 个字段值
字段路径原始值
codeSASDFZ3
statusPublished
type_of_curveSEC-SAS
angular_unit1/A
project.titleOn the structure and function of Escherichia coli YjhC: an oxidoreductase involved in bacterial sialic acid metabolism.
project.publication.titleOn the structure and function of Escherichia coli YjhC: an oxidoreductase involved in bacterial sialic acid metabolism.
project.publication.author_listHorne CR, Kind L, Davies JS, Dobson RCJ
project.publication.journalProteins
project.publication.doi10.1002/prot.25846
project.publication.pmid31697432
project.publication.published_date2019 Nov 7
project.statusreleased
project.submitted_date2019-03-13
project.released_date2019-11-12
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experiment.instrument.detector.namePilatus 1M
experiment.instrument.detector.resolution172.0
experiment.instrument.nameAustralian Synchrotron
experiment.instrument.cityMelbourne
experiment.instrument.countryAustralia
experiment.instrument.beamline_nameSAXS/WAXS
experiment.instrument.beam_geometryPoint
experiment.instrument.type_of_sourceX-ray synchrotron
experiment.instrument.point_sourceTrue
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experiment.instrument.sample_path_lengthnull
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experiment.instrument.line_collimation_integrationwidthnull
experiment.instrument.xray_energynull
experiment.instrument.beam_profile_ahnull
experiment.instrument.beam_profile_alnull
experiment.sample.molecule[0].long_nameEscherichia coli YjhC
experiment.sample.molecule[0].short_nameYjhC
experiment.sample.molecule[0].sequence>YjhC HHHHHHSSGLVPRGSMINYGVVGVGYFGAELARFMNMHDNAKITCVYDPENGENIARELQCINMSSLDALVSSKLVDCVIVATPNYLHKEPVIKAAKNKKHVFCEKPIALSYEDCVDMVKACKEAGVTFMAGHIMNFFNGVQYARKLIKEGVIGEILSCHTKRNGWENKQERLSWKKMKEQSGGHLYHHIHELDCVQHLLGEIPETVTMIGGNLAHSGPGFGNEDDMLFMTLEFPSGKLATLEWGSAFNWPEHYVIINGTKGSIKIDMQETAGSLRIGGQTKHFLVHETQEEDDDRRKGNMTSEMDGAIAYGHPGKKTPLWLASLIRKETLFLHNILCGAKPEEDYIDLLNGEAAMSAIATADAATLSRSQDRKVKISEIIKHTSVM
experiment.sample.molecule[0].organismEscherichia coli
experiment.sample.molecule[0].uniprot_codenull
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_sequencenull
experiment.sample.molecule[0].mw43.048
experiment.sample.molecule[0].total_mw86.096
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_descriptionnull
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experiment.sample.buffer.commentnull
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experiment.sample.purity_methodnull
experiment.sample.nameEscherichia coli YjhC
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[0].affiliation[0].short_namenull
experiment.contributor[0].affiliation[0].addressNew Zealand
experiment.contributor[0].affiliation[0].full_nameUniversity of Canterbury
experiment.contributor[0].affiliation[0].webpagehttps://www.canterbury.ac.nz/
experiment.contributor[0].contributor_nameChris
experiment.contributor[0].contributor_surnameHorne
experiment.contributor[0].orcid
experiment.concentration_methodnull
experiment.concentration_unitnull
experiment.date2018-04-12
experiment.storage_temperature4.0
experiment.cell_temperature12.0
experiment.exposure_time1.0
experiment.number_of_frames400
experiment.wavelength0.10332
experiment.sample_detector_distance1.6
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experiment.concentration_max8.0
experiment.sample_volumenull
experiment.flow_ratenull
experiment.s_min0.121
experiment.s_max5.001
experiment.total_exposure_timenull
experiment.seccolumnnull
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fits[0].models[0].softwarePDB (Protein Data Bank)
fits[0].models[0].pdb_link[0].pdb_code6o15
fits[0].models[0].pdb_link[0].ext_code6O15
fits[0].models[0].pdb_link[0].ext_typepdb
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fits[0].models[0].commentnull
fits[0].models[0].user405
fits[0].fit_unit1/A
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fits[0].softwareCRYSOL
fits[0].chi_square_value0.623
fits[0].p_value0.0
fits[0].fit_residual_plotYjhC_refine_49_UBSo1Sn_fitresiduals_img.png
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fits[0].software_version2.8.2
fits[0].description
estimated_volume_methodnull
pddf_softwareATSAS GNOM
pddf_software_version5.0
i0_calibration_standardnull
descriptionnull
experiment_descriptionSynchrotron SAXS data of the oxidoreductase YjhC from Escherichia coli in 20 mM Tris, 150 mM NaCl, 0.1 % (w/v) sodium azide, 5 % (v/v) glycerol, pH 8 were collected on the SAXS/WAXS beam line at the Australian Synchrotron (Melbourne, Australia) using a PILATUS 1M detector at a sample-detector distance of 1.6 m, providing a q range of 0.06-5 nm-1 and at a wavelength of λ = 0.10332 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Coflow size-exclusion chromatography-SAXS (SEC-SAXS) was used to minimize sample dilution and maximize signal to noise (Kirby et al., 2016). 80 µl of purified YjhC protein at 8 mg/ml was injected onto an Superdex S200 Increase 5/150 GL (GE Healthcare) at a flow rate of 0.45 ml/min. Scattering data was collected in 1 second exposures over a total of 400 frames, using a 1.5 mm glass capillary, at 12 °C. 2D intensity plots were radially averaged, normalised to sample transmission, and background subtracted using the Scatterbrain software package (Australian Synchrotron). Analysis of the scattering data was performed using the ATSAS software package (version 2.8.4). PrimusQT was used to perform the Guinier analysis, Kratky analysis, and to generate the pairwise distribution function P(r), calculated using an indirect Fourier transform using GNOM. The molecular mass of the samples was estimated using the SAXS-MoW2 package (Fischer et al., 2010), while CRYSOL was used to evaluate the experimental solution scattering with the calculated scattering from the atomic coordinates of the high-resolution structure of YjhC.
tags[]
intensity_unit1/cm
experimental_mw84.5
experimental_mw_errornull
guinier_i0_mwnull
guinier_i0_mw_errornull
porod_mw81.0
porod_mw_errornull
pddf_i00.04925
pddf_i0_error1.424e-05
guinier_i00.049
guinier_i0_error0.0001
pddf_rg3.18
pddf_rg_error0.013
guinier_rg3.114
guinier_rg_error0.036
pddf_dmax10.71
pddf_dmax_errornull
porod_volume130.0
porod_volume_errornull
estimated_volumenull
estimated_volume_errornull
guinier_point_first5
guinier_point_last41
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDFZ3_datloglog_img.png
symmetrynull
last_modified2019-12-06T13:07:15.624532+01:00
bragg_peak[]
manifest.json:36 个字段值
字段路径原始值
codeSASDFZ3
statussuccess
started_at2026-08-11T14:11:38.106981+00:00
finished_at2026-08-11T14:11:53.404431+00:00
source_last_modified2019-12-06T13:07:15.624532+01:00
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查看完整 summary.json 原文
{
  "code": "SASDFZ3",
  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/A",
  "project": {
    "title": "On the structure and function of Escherichia coli YjhC: an oxidoreductase involved in bacterial sialic acid metabolism.",
    "publication": {
      "title": "On the structure and function of Escherichia coli YjhC: an oxidoreductase involved in bacterial sialic acid metabolism.",
      "author_list": "Horne CR, Kind L, Davies JS, Dobson RCJ",
      "journal": "Proteins",
      "doi": "10.1002/prot.25846",
      "pmid": "31697432",
      "published_date": "2019 Nov 7"
    },
    "status": "released",
    "submitted_date": "2019-03-13",
    "released_date": "2019-11-12"
  },
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    "sample": {
      "molecule": [
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          "long_name": "Escherichia coli YjhC",
          "short_name": "YjhC",
          "sequence": ">YjhC\r\nHHHHHHSSGLVPRGSMINYGVVGVGYFGAELARFMNMHDNAKITCVYDPENGENIARELQCINMSSLDALVSSKLVDCVIVATPNYLHKEPVIKAAKNKKHVFCEKPIALSYEDCVDMVKACKEAGVTFMAGHIMNFFNGVQYARKLIKEGVIGEILSCHTKRNGWENKQERLSWKKMKEQSGGHLYHHIHELDCVQHLLGEIPETVTMIGGNLAHSGPGFGNEDDMLFMTLEFPSGKLATLEWGSAFNWPEHYVIINGTKGSIKIDMQETAGSLRIGGQTKHFLVHETQEEDDDRRKGNMTSEMDGAIAYGHPGKKTPLWLASLIRKETLFLHNILCGAKPEEDYIDLLNGEAAMSAIATADAATLSRSQDRKVKISEIIKHTSVM",
          "organism": "Escherichia coli",
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          "uniprot_range_last": null,
          "oligomerization": "dimer",
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        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 8.0,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Escherichia coli YjhC",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
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    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": null,
            "address": "New Zealand",
            "full_name": "University of Canterbury",
            "webpage": "https://www.canterbury.ac.nz/"
          }
        ],
        "contributor_name": "Chris",
        "contributor_surname": "Horne",
        "orcid": ""
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    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2018-04-12",
    "storage_temperature": 4.0,
    "cell_temperature": 12.0,
    "exposure_time": 1.0,
    "number_of_frames": 400,
    "wavelength": 0.10332,
    "sample_detector_distance": 1.6,
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    "seccolumn": null
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        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDFZ3_fit1_model1_img.png",
          "software": "PDB (Protein Data Bank)",
          "pdb_link": [
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              "pdb_code": "6o15",
              "ext_code": "6O15",
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              "difference_with_model": "identical"
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      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/YjhC_refine_49_UBSo1Sn_fixed_fit_img.png",
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  "experiment_description": "Synchrotron SAXS data of the oxidoreductase YjhC from Escherichia coli in 20 mM Tris, 150 mM NaCl, 0.1 % (w/v) sodium azide, 5 % (v/v) glycerol, pH 8 were collected on the SAXS/WAXS beam line at the Australian Synchrotron (Melbourne, Australia) using a PILATUS 1M detector at a sample-detector distance of 1.6 m, providing a q range of 0.06-5 nm-1 and at a wavelength of λ = 0.10332 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Coflow size-exclusion chromatography-SAXS (SEC-SAXS) was used to minimize sample dilution and maximize signal to noise (Kirby et al., 2016). 80 µl of purified YjhC protein at 8 mg/ml was injected onto an Superdex S200 Increase 5/150 GL (GE Healthcare) at a flow rate of 0.45 ml/min. Scattering data was collected in 1 second exposures over a total of 400 frames, using a 1.5 mm glass capillary, at 12 °C. 2D intensity plots were radially averaged, normalised to sample transmission, and background subtracted using the Scatterbrain software package (Australian Synchrotron). Analysis of the scattering data was performed using the ATSAS software package (version 2.8.4).  PrimusQT was used to perform the Guinier analysis, Kratky analysis, and to generate the pairwise distribution function P(r), calculated using an indirect Fourier transform using GNOM.  The molecular mass of the samples was estimated using the SAXS-MoW2 package (Fischer et al., 2010), while CRYSOL was used to evaluate the experimental solution scattering with the calculated scattering from the atomic coordinates of the high-resolution structure of YjhC.",
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  "guinier_point_first": 5,
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  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDFZ3_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2019-12-06T13:07:15.624532+01:00",
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}
查看完整 manifest.json 原文
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