SASDG36

4-hydroxy-tetrahydrodipicolinate synthase (N84D mutant)

数据类型:SASBDB 实验数据 状态:Published 曲线类型:SEC-SAS 最后更新:2021-04-22T13:41:03.378678+02:00

The models displayed in this entry represent: Top, the averaged (DAMFILT) model obtained from the spatial alignment of several individual DAMMIF models (volume and bead occupancy corrected) and; Bottom, and individual DAMMIF model representative and corresponding fit. Additional individual DAMMIF models (in P1 symmetry) are provided in the full entry zip archive.

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1. 样品、组分与实验条件 Sample & Experiment

样品 1 · 4-hydroxy-tetrahydrodipicolinate synthase (N84D mutant)

浓度— – 10.0 缓冲液 / pH20 mM Tris-HCl, 150 mM NaCl / 8.0
实验温度— 设备 / 束线Diamond Light Source / B21
波长0.1 nm曝光3.0 s × 619

分子组分

组分类型 / 物种UniProt 与构建体寡聚状态分子量
4-hydroxy-tetrahydrodipicolinate synthase (N84D mutant)
查看序列
MDKNIIIGAMTALITPFKNGKVDEQSYARLIKRQIENGIDAVVPVGTTGESATLTHEEHRTCIEIAVETCKGTKVKVLAGAGSDATHEAVGLAKFAKEHGADGILSVAPYYNKPTQQGLYEHYKAIAQSVDIPVLLYNVPGRTGCEISTDTIIKLFRDCENIYGVKEASGNIDKCVDLLAHEPRMMLISGEDAINYPILSNGGKGVISVTSNLLPDMISALTHFALDENYKEAKKINDELYNINKILFCESNPIPIKTAMYLAGLIESLEFRLPLCSPSKENFAKIEEVMKKYKIKGF
proteinCampylobacter jejuniQ9PPB41–298dimer分子数 232.671 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
11691[3]0.006620611–0.3897733 1/A含误差列缺失 021sasbdb/entries/36/sasdg36/source/SASDG36.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)9.5—Å
i0Guinier0.0776e-05arbitrary
i0P(r)0.076983e-05arbitrary
mwExperimental78.0—kDa
mwPorod54.0—kDa
porod_volumePorod108.0—ų
rgGuinier3.10.04Å
rgP(r)3.080.02Å

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-HCl, 150 mM NaCl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2017-08-02储存 / 测量温度— / —
曝光时间3.0帧数619
波长0.1样品-探测器距离4.0
光源X-ray synchrotron探测器Pilatus 2M
机构 / 束线Diamond Light Source / B21 · Didcot, UK
q 范围0.066 – 3.898样品体积 / 流速50.0 / 0.16

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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full_entry_zipsasbdb/entries/36/sasdg36/source/SASDG36.zipdownloaded34537253e34623e97ff0216f51f845f10366eb17cb995dbb33916d08c8c40f941df28e下载查看原文件源站
pddfsasbdb/entries/36/sasdg36/source/SASDG36.outdownloaded12157657def8f1423512c7b87ebdc18c336736777d4fe51475818020e94ed8f077104f下载查看原文件源站
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summarysasbdb/entries/36/sasdg36/source/summary.jsondownloaded86648f6d810fa494082e0c55cce9d3133a935829c81ea35d610290e911e301f1e63f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(7 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:169 个字段值
字段路径原始值
codeSASDG36
statusPublished
type_of_curveSEC-SAS
angular_unit1/A
project.titleAsparagine-84, a regulatory allosteric site residue, helps maintain the quaternary structure of Campylobacter jejuni dihydrodipicolinate synthase.
project.publication.titleAsparagine-84, a regulatory allosteric site residue, helps maintain the quaternary structure of Campylobacter jejuni dihydrodipicolinate synthase.
project.publication.author_listMajdi Yazdi M, Saran S, Mrozowich T, Lehnert C, Patel TR, Sanders DAR, Palmer DRJ
project.publication.journalJ Struct Biol
project.publication.doi10.1016/j.jsb.2019.107409
project.publication.pmid31678256
project.publication.published_date2019 Oct 31
project.statusreleased
project.submitted_date2019-09-29
project.released_date2019-11-17
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intensities_datahttps://www.sasbdb.org/media/intensities_files/SASDG36.dat
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sascif_datahttps://www.sasbdb.org/media/sascif/sascif_files/SASDG36.sascif
experiment.instrument.detector.typenull
experiment.instrument.detector.namePilatus 2M
experiment.instrument.detector.resolutionnull
experiment.instrument.nameDiamond Light Source
experiment.instrument.cityDidcot
experiment.instrument.countryUK
experiment.instrument.beamline_nameB21
experiment.instrument.beam_geometry1 x 5 mm
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_name4-hydroxy-tetrahydrodipicolinate synthase (N84D mutant)
experiment.sample.molecule[0].short_nameHTPA synthase N84D
experiment.sample.molecule[0].sequenceMDKNIIIGAMTALITPFKNGKVDEQSYARLIKRQIENGIDAVVPVGTTGESATLTHEEHRTCIEIAVETCKGTKVKVLAGAGSDATHEAVGLAKFAKEHGADGILSVAPYYNKPTQQGLYEHYKAIAQSVDIPVLLYNVPGRTGCEISTDTIIKLFRDCENIYGVKEASGNIDKCVDLLAHEPRMMLISGEDAINYPILSNGGKGVISVTSNLLPDMISALTHFALDENYKEAKKINDELYNINKILFCESNPIPIKTAMYLAGLIESLEFRLPLCSPSKENFAKIEEVMKKYKIKGF
experiment.sample.molecule[0].organismCampylobacter jejuni
experiment.sample.molecule[0].uniprot_codeQ9PPB4
experiment.sample.molecule[0].uniprot_range_first1
experiment.sample.molecule[0].uniprot_range_last298
experiment.sample.molecule[0].oligomerizationdimer
experiment.sample.molecule[0].molecular_typeprotein
experiment.sample.molecule[0].uniprot_sequenceMDKNIIIGAMTALITPFKNGKVDEQSYARLIKRQIENGIDAVVPVGTTGESATLTHEEHR TCIEIAVETCKGTKVKVLAGAGSNATHEAVGLAKFAKEHGADGILSVAPYYNKPTQQGLY EHYKAIAQSVDIPVLLYNVPGRTGCEISTDTIIKLFRDCENIYGVKEASGNIDKCVDLLA HEPRMMLISGEDAINYPILSNGGKGVISVTSNLLPDMISALTHFALDENYKEAKKINDEL YNINKILFCESNPIPIKTAMYLAGLIESLEFRLPLCSPSKENFAKIEEVMKKYKIKGF
experiment.sample.molecule[0].mw32.671
experiment.sample.molecule[0].total_mw65.342
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
experiment.sample.buffer.name20 mM Tris-HCl, 150 mM NaCl
experiment.sample.buffer.concentration_unitnull
experiment.sample.buffer.commentnull
experiment.sample.buffer.additivenull
experiment.sample.buffer.concentrationnull
experiment.sample.buffer.pkanull
experiment.sample.buffer.ph8.0
experiment.sample.buffer.deuterationnull
experiment.sample.purity_methodnull
experiment.sample.name4-hydroxy-tetrahydrodipicolinate synthase (N84D mutant)
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].addressLethbridge, AB, Canada
experiment.contributor[0].affiliation[0].full_nameUniversity of Lethbridge
experiment.contributor[0].affiliation[0].webpagehttp://www.uleth.ca/
experiment.contributor[0].contributor_nameTrushar
experiment.contributor[0].contributor_surnamePatel
experiment.contributor[0].orcidnull
experiment.concentration_methodnull
experiment.concentration_unitnull
experiment.date2017-08-02
experiment.storage_temperaturenull
experiment.cell_temperaturenull
experiment.exposure_time3.0
experiment.number_of_frames619
experiment.wavelength0.1
experiment.sample_detector_distance4.0
experiment.concentration_minnull
experiment.concentration_max10.0
experiment.sample_volume50.0
experiment.flow_rate0.16
experiment.s_min0.066
experiment.s_max3.898
experiment.total_exposure_timenull
experiment.seccolumn1
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fits[0].models[0].model_titlenull
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fits[0].models[0].bead_radius3.25
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fits[0].models[0].commentnull
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fits[0].models[1].bead_radius1.9
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fits[0].softwareDAMMIF
fits[0].chi_square_value1.424
fits[0].p_value0.005573
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fits[0].fit_lognull
fits[0].software_versionnull
fits[0].description
estimated_volume_methodnull
pddf_softwareATSAS GNOM
pddf_software_version5.0
i0_calibration_standardnull
descriptionThe models displayed in this entry represent: Top, the averaged (DAMFILT) model obtained from the spatial alignment of several individual DAMMIF models (volume and bead occupancy corrected) and; Bottom, and individual DAMMIF model representative and corresponding fit. Additional individual DAMMIF models (in P1 symmetry) are provided in the full entry zip archive.
experiment_descriptionSynchrotron SAXS data from solutions of N84D mutant 4-hydroxy-tetrahydrodipicolinate synthase in 20 mM Tris-HCl, 150 mM NaCl, pH 8 were collected on the B21 beam line at the Diamond Light Source (Didcot, UK) using a Pilatus 2M detector at a sample-detector distance of 4 m and at a wavelength of λ = 0.1 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). In-line size-exclusion chromatography (SEC) SAS was employed. The SEC parameters were as follows: A 50.00 μl sample at 10 mg/ml was injected at a 0.16 ml/min flow rate onto a GE Superdex 200 Increase 10/300 column . 619 successive 3 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted.
tags[]
intensity_unitarbitrary
experimental_mw78.0
experimental_mw_errornull
guinier_i0_mwnull
guinier_i0_mw_errornull
porod_mw54.0
porod_mw_errornull
pddf_i00.07698
pddf_i0_error3e-05
guinier_i00.077
guinier_i0_error6e-05
pddf_rg3.08
pddf_rg_error0.02
guinier_rg3.1
guinier_rg_error0.04
pddf_dmax9.5
pddf_dmax_errornull
porod_volume108.0
porod_volume_errornull
estimated_volumenull
estimated_volume_errornull
guinier_point_first6
guinier_point_last153
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDG36_datloglog_img.png
symmetrynull
last_modified2021-04-22T13:41:03.378678+02:00
bragg_peak[]
manifest.json:36 个字段值
字段路径原始值
codeSASDG36
statussuccess
started_at2026-08-11T15:00:46.493137+00:00
finished_at2026-08-11T15:00:56.694971+00:00
source_last_modified2021-04-22T13:41:03.378678+02:00
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查看完整 summary.json 原文
{
  "code": "SASDG36",
  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/A",
  "project": {
    "title": "Asparagine-84, a regulatory allosteric site residue, helps maintain the quaternary structure of Campylobacter jejuni dihydrodipicolinate synthase.",
    "publication": {
      "title": "Asparagine-84, a regulatory allosteric site residue, helps maintain the quaternary structure of Campylobacter jejuni dihydrodipicolinate synthase.",
      "author_list": "Majdi Yazdi M, Saran S, Mrozowich T, Lehnert C, Patel TR, Sanders DAR, Palmer DRJ",
      "journal": "J Struct Biol",
      "doi": "10.1016/j.jsb.2019.107409",
      "pmid": "31678256",
      "published_date": "2019 Oct 31"
    },
    "status": "released",
    "submitted_date": "2019-09-29",
    "released_date": "2019-11-17"
  },
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  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDG36.dat",
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      "country": "UK",
      "beamline_name": "B21",
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        {
          "long_name": "4-hydroxy-tetrahydrodipicolinate synthase (N84D mutant)",
          "short_name": "HTPA synthase N84D",
          "sequence": "MDKNIIIGAMTALITPFKNGKVDEQSYARLIKRQIENGIDAVVPVGTTGESATLTHEEHRTCIEIAVETCKGTKVKVLAGAGSDATHEAVGLAKFAKEHGADGILSVAPYYNKPTQQGLYEHYKAIAQSVDIPVLLYNVPGRTGCEISTDTIIKLFRDCENIYGVKEASGNIDKCVDLLAHEPRMMLISGEDAINYPILSNGGKGVISVTSNLLPDMISALTHFALDENYKEAKKINDELYNINKILFCESNPIPIKTAMYLAGLIESLEFRLPLCSPSKENFAKIEEVMKKYKIKGF",
          "organism": "Campylobacter jejuni",
          "uniprot_code": "Q9PPB4",
          "uniprot_range_first": 1,
          "uniprot_range_last": 298,
          "oligomerization": "dimer",
          "molecular_type": "protein",
          "uniprot_sequence": "MDKNIIIGAMTALITPFKNGKVDEQSYARLIKRQIENGIDAVVPVGTTGESATLTHEEHR\nTCIEIAVETCKGTKVKVLAGAGSNATHEAVGLAKFAKEHGADGILSVAPYYNKPTQQGLY\nEHYKAIAQSVDIPVLLYNVPGRTGCEISTDTIIKLFRDCENIYGVKEASGNIDKCVDLLA\nHEPRMMLISGEDAINYPILSNGGKGVISVTSNLLPDMISALTHFALDENYKEAKKINDEL\nYNINKILFCESNPIPIKTAMYLAGLIESLEFRLPLCSPSKENFAKIEEVMKKYKIKGF",
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          "total_mw": 65.342,
          "number_molecules": 2,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
      ],
      "buffer": {
        "name": "20 mM Tris-HCl, 150 mM NaCl",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 8.0,
        "deuteration": null
      },
      "purity_method": null,
      "name": "4-hydroxy-tetrahydrodipicolinate synthase (N84D mutant)",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": null,
            "address": "Lethbridge, AB, Canada",
            "full_name": "University of Lethbridge",
            "webpage": "http://www.uleth.ca/"
          }
        ],
        "contributor_name": "Trushar",
        "contributor_surname": "Patel",
        "orcid": null
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2017-08-02",
    "storage_temperature": null,
    "cell_temperature": null,
    "exposure_time": 3.0,
    "number_of_frames": 619,
    "wavelength": 0.1,
    "sample_detector_distance": 4.0,
    "concentration_min": null,
    "concentration_max": 10.0,
    "sample_volume": 50.0,
    "flow_rate": 0.16,
    "s_min": 0.066,
    "s_max": 3.898,
    "total_exposure_time": null,
    "seccolumn": 1
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  "fits": [
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      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDG36_fit1_model1_img.png",
          "software": "DAMFILT",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "dummy",
          "software_version": "DAMFILT 5.0 (r9678)",
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          "comment": null,
          "user": 239
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      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/untitled_2637_2_fixed_fit_img.png",
      "software": "DAMMIF",
      "chi_square_value": 1.424,
      "p_value": 0.005573,
      "fit_residual_plot": "untitled_2637_2_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDG36_fit1.fir",
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  "pddf_software": "ATSAS GNOM",
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  "i0_calibration_standard": null,
  "description": "The models displayed in this entry represent: Top, the averaged (DAMFILT) model obtained from the spatial alignment of several individual DAMMIF models (volume and bead occupancy corrected) and; Bottom, and individual DAMMIF model representative and corresponding fit. Additional individual DAMMIF models (in P1 symmetry) are provided in the full entry zip archive.",
  "experiment_description": "Synchrotron SAXS data from solutions of N84D mutant 4-hydroxy-tetrahydrodipicolinate synthase in 20 mM Tris-HCl, 150 mM NaCl, pH 8 were collected on the B21 beam line at the Diamond Light Source (Didcot, UK) using a Pilatus 2M detector at a sample-detector distance of 4 m and at a wavelength of λ = 0.1 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). In-line size-exclusion chromatography (SEC) SAS was employed. The SEC parameters were as follows: A 50.00 μl sample at 10 mg/ml was injected at a 0.16 ml/min flow rate onto a GE Superdex 200 Increase 10/300 column . 619 successive 3 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted.",
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  "pddf_i0_error": 3e-05,
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  "guinier_i0_error": 6e-05,
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  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 6,
  "guinier_point_last": 153,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDG36_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2021-04-22T13:41:03.378678+02:00",
  "bragg_peak": []
}
查看完整 manifest.json 原文
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