SASDEH4

Tryparedoxin K102E, in the presence of inhibitor CFT (2-(chloromethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one)

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

SEC column type: GE Healthcare S75 3.2/300; Sample Injection Concentration = 10 mg/mL; Column flow-rate = 0.1 mL/min.

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1. 样品、组分与实验条件 Sample & Experiment

样品 1 · Tryparedoxin K102E, in the presence of inhibitor CFT (2-(chloromethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one)

浓度— – — 缓冲液 / pH10 mM HEPES pH 7.5, 50 mM NaCl / 7.5
实验温度20.0 设备 / 束线ESRF / BM29
波长0.099 nm曝光1.0 s × —

分子组分

组分类型 / 物种UniProt 与构建体寡聚状态分子量
Tryparedoxin K102E
查看序列
GSGLAKYLPGATNLLSKSGEVSLGSLVGKTVFLYFSASWCPPCRGFTPVLAEFYEKHHVAKNFEVVLISWDENESDFHDYYGKMPWLALPFDQRSTVSELGETFGVESIPTLITINADTGAIIGTQARTRVIEDPDGANFPWPN
proteinTrypanosoma brucei bruceiO77404—–—unknown分子数 —15.818 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
11043[3]0.03725576–4.927891 1/nm含误差列缺失 0229sasbdb/entries/h4/sasdeh4/source/SASDEH4.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)6.16—nm
i0Guinier14.30.03—
i0P(r)14.31——
mwExperimental22.0—kDa
mwPorod22.0—kDa
porod_volumePorod37.0—nm³
rgGuinier1.80.07nm
rgP(r)1.815—nm

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 1 · OLIGOMER

χ²:3.52CorMap p:0.115511单位:1/A

Fit to mixture of crystallographic monomer and dimer: 81.1% monomer

模型名称 / 类型软件对称性模型 MWPDB 声明来源文件
1—atomicPDB (Protein Data Bank) —31.776GXY模型 图片
2—atomicOther —15.88—模型 图片
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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10 mM HEPES pH 7.5, 50 mM NaCl缓冲液浓度—
pH7.5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2018-05-31储存 / 测量温度20.0 / 20.0
曝光时间1.0帧数—
波长0.099样品-探测器距离2.869
光源X-ray synchrotron探测器Pilatus 1M
机构 / 束线ESRF / BM29 · Grenoble, France
q 范围0.037 – 4.928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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sascif: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:172 个字段值
字段路径原始值
codeSASDEH4
statusPublished
type_of_curveSEC-SAS
angular_unit1/nm
project.titleInhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes.
project.publication.titleInhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes.
project.publication.author_listWagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
project.publication.journalAngew Chem Int Ed Engl
project.publication.doi10.1002/anie.201810470
project.publication.pmid30605929
project.publication.published_date2019 Jan 3
project.statusreleased
project.submitted_date2018-09-06
project.released_date2019-01-08
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experiment.instrument.detector.namePilatus 1M
experiment.instrument.detector.resolution172.0
experiment.instrument.nameESRF
experiment.instrument.cityGrenoble
experiment.instrument.countryFrance
experiment.instrument.beamline_nameBM29
experiment.instrument.beam_geometry
experiment.instrument.type_of_sourceX-ray synchrotron
experiment.instrument.point_sourcenull
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experiment.sample.molecule[0].short_namenull
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experiment.sample.molecule[0].uniprot_codeO77404
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experiment.sample.molecule[0].total_mw15.818
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experiment.contributor[0].affiliation[0].short_nameEMBL
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experiment.contributor[0].affiliation[0].full_nameEuropean Molecular Biology Laboratory (EMBL) - Grenoble Outstation
experiment.contributor[0].affiliation[0].webpagehttps://www.embl.fr/
experiment.contributor[0].contributor_nameMartha
experiment.contributor[0].contributor_surnameBrennich
experiment.contributor[0].orcidnull
experiment.concentration_methodnull
experiment.concentration_unitnull
experiment.date2018-05-31
experiment.storage_temperature20.0
experiment.cell_temperature20.0
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estimated_volume_methodnull
pddf_softwareATSAS GNOM
pddf_software_version5.0
i0_calibration_standardnull
descriptionSEC column type: GE Healthcare S75 3.2/300; Sample Injection Concentration = 10 mg/mL; Column flow-rate = 0.1 mL/min.
experiment_descriptionSynchrotron SAXS data from solutions of Tryparedoxin K102E, in the presence of CFT in 10 mM HEPES pH 7.5, 50 mM NaCl, pH 7.5 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Dectris Pilatus 1M detector at a sample-detector distance of 2.9 m and at a wavelength of λ = 0.099 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). The data were collected using in-line size exclusion chromatography (SEC)-SAXS at 20°C.
tags[]
intensity_unitnull
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guinier_i0_mw_errornull
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estimated_volume_errornull
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guinier_point_last147
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDEH4_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
codeSASDEH4
statussuccess
started_at2026-08-11T14:23:57.680124+00:00
finished_at2026-08-11T14:24:06.975080+00:00
source_last_modified2019-12-06T13:07:15.624532+01:00
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查看完整 summary.json 原文
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  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/nm",
  "project": {
    "title": "Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes.",
    "publication": {
      "title": "Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes.",
      "author_list": "Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA",
      "journal": "Angew Chem Int Ed Engl",
      "doi": "10.1002/anie.201810470",
      "pmid": "30605929",
      "published_date": "2019 Jan 3"
    },
    "status": "released",
    "submitted_date": "2018-09-06",
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            "full_name": "European Molecular Biology Laboratory (EMBL) - Grenoble Outstation",
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}
查看完整 manifest.json 原文
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