SASDAB7

Complex ComE-comcde

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

Use of SAXS to describe the interaction between the phosphorylated mimetic mutant ComED58E of the response regulator ComE from S. pneumonia and its promoter region comcde. The complex is constituted of one dimer of ComE and one monomer of comcde. The SAXS data were collected directly after elution through an on-line size-exclusion high-performance liquid chromatography (SEC-HPLC) column. The molecular weight is not estimated from I(0) because the concentration of the complex cannot be accurately determined. It is obtained from the macromolecule volume using the method developed by Craievich’s team (the SAXS Mow program).

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1. 样品、组分与实验条件 Sample & Experiment

样品 1 · Complex ComE-comcde

浓度— – 0.8 mg/ml缓冲液 / pH50 mM MES 500 mM NaCl 5% (v/v) Glycerol 5 mM β-mercaptoethanol / 6.2
实验温度18.0 设备 / 束线SOLEIL / SWING
波长0.1 nm曝光1.2 s × 6

分子组分

组分类型 / 物种UniProt 与构建体寡聚状态分子量
comcde
查看序列
5’-AAGTACACTTTGGGAGAAAAAAATGACAGTTGAGAGAA-3’3’-TTCATGTGAAACCCTCTTTTTTTACTGTCAACTCTCTT-5'
DNAStreptococcus pneumoniae——–—other分子数 —23.5 kDa
Response regulator
查看序列
MKVLILEDVIEHQVRLERILDEISKESNIPISYKTTGKVREFEEYIENDEVNQLYFLAIDIHGIEKKGFEVAQLIRHYNPYAIIVFITSRSEFATLTYKYQVSALDFVDKDINDEMFKKRIEQNIFYTKSMLLENEDVVDYFDYNYKGNDLKIPYHDILYIETTGVSHKLRIIGKNFAKEFYGTMTDIQEKDKHTQRFYSPHKSFLVNIGNIREIDRKNLEIVFYEDHRCPISRLKIRKLKDILEKKSQKHHHHHH
proteinStreptococcus pneumoniaeQ8DMW51–250dimer分子数 230.736 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
1700[3]0.111721–4.00983 1/nm含误差列缺失 01sasbdb/entries/b7/sasdab7/source/SASDAB7.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)10.7—nm
i0Guinier0.05529——
i0P(r)0.0556——
mwExperimental83.0—kDa
mwPorod83.0—kDa
porod_volumePorod122.0—nm³
rgGuinier3.37—nm
rgP(r)3.41—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

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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50 mM MES 500 mM NaCl 5% (v/v) Glycerol 5 mM β-mercaptoethanol缓冲液浓度50.0 mM
pH6.2添加剂500 mM NaCl, 5% (vol/vol) glycerol, 5 mM β-mercaptoethanol
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2011-02-11储存 / 测量温度18.0 / 18.0
曝光时间1.2帧数6
波长0.1样品-探测器距离1.82
光源X-ray synchrotron探测器AVIEX PCCD170170
机构 / 束线SOLEIL / SWING · Saint-Aubin, France
q 范围0.112 – 4.01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:170 个字段值
字段路径原始值
codeSASDAB7
statusPublished
type_of_curveSEC-SAS
angular_unit1/nm
project.titleModeling the ComD/ComE/comcde interaction network using small angle X-ray scattering.
project.publication.titleModeling the ComD/ComE/comcde interaction network using small angle X-ray scattering.
project.publication.author_listSanchez D, Boudes M, van Tilbeurgh H, Durand D, Quevillon-Cheruel S
project.publication.journalFEBS J
project.publication.doi10.1111/febs.13240
project.publication.pmid25702779
project.publication.published_date2015 Apr
project.statusreleased
project.submitted_date2015-01-12
project.released_date2015-07-07
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experiment.instrument.detector.nameAVIEX PCCD170170
experiment.instrument.detector.resolutionnull
experiment.instrument.nameSOLEIL
experiment.instrument.citySaint-Aubin
experiment.instrument.countryFrance
experiment.instrument.beamline_nameSWING
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_namecomcde
experiment.sample.molecule[0].short_namenull
experiment.sample.molecule[0].sequence5’-AAGTACACTTTGGGAGAAAAAAATGACAGTTGAGAGAA-3’ 3’-TTCATGTGAAACCCTCTTTTTTTACTGTCAACTCTCTT-5'
experiment.sample.molecule[0].organismStreptococcus pneumoniae
experiment.sample.molecule[0].uniprot_codenull
experiment.sample.molecule[0].uniprot_range_firstnull
experiment.sample.molecule[0].uniprot_range_lastnull
experiment.sample.molecule[0].oligomerizationother
experiment.sample.molecule[0].molecular_typeDNA
experiment.sample.molecule[0].uniprot_sequencenull
experiment.sample.molecule[0].mw23.5
experiment.sample.molecule[0].total_mw23.5
experiment.sample.molecule[0].number_molecules0
experiment.sample.molecule[0].complex_statenull
experiment.sample.molecule[0].deuterationnull
experiment.sample.molecule[0].molecule_sourcebiological
experiment.sample.molecule[0].molecule_descriptionnull
experiment.sample.molecule[1].long_nameResponse regulator
experiment.sample.molecule[1].short_nameComE
experiment.sample.molecule[1].sequenceMKVLILEDVIEHQVRLERILDEISKESNIPISYKTTGKVREFEEYIENDEVNQLYFLAID IHGIEKKGFEVAQLIRHYNPYAIIVFITSRSEFATLTYKYQVSALDFVDKDINDEMFKKR IEQNIFYTKSMLLENEDVVDYFDYNYKGNDLKIPYHDILYIETTGVSHKLRIIGKNFAKE FYGTMTDIQEKDKHTQRFYSPHKSFLVNIGNIREIDRKNLEIVFYEDHRCPISRLKIRKL KDILEKKSQKHHHHHH
experiment.sample.molecule[1].organismStreptococcus pneumoniae
experiment.sample.molecule[1].uniprot_codeQ8DMW5
experiment.sample.molecule[1].uniprot_range_first1
experiment.sample.molecule[1].uniprot_range_last250
experiment.sample.molecule[1].oligomerizationdimer
experiment.sample.molecule[1].molecular_typeprotein
experiment.sample.molecule[1].uniprot_sequenceMKVLILEDVIEHQVRLERILDEISKESNIPISYKTTGKVREFEEYIENDEVNQLYFLDID IHGIEKKGFEVAQLIRHYNPYAIIVFITSRSEFATLTYKYQVSALDFVDKDINDEMFKKR IEQNIFYTKSMLLENEDVVDYFDYNYKGNDLKIPYHDILYIETTGVSHKLRIIGKNFAKE FYGTMTDIQEKDKHTQRFYSPHKSFLVNIGNIREIDRKNLEIVFYEDHRCPISRLKIRKL KDILEKKSQK
experiment.sample.molecule[1].mw30.736
experiment.sample.molecule[1].total_mw61.472
experiment.sample.molecule[1].number_molecules2
experiment.sample.molecule[1].complex_stateFalse
experiment.sample.molecule[1].deuterationnull
experiment.sample.molecule[1].molecule_sourcebiological
experiment.sample.molecule[1].molecule_descriptionnull
experiment.sample.buffer.name50 mM MES 500 mM NaCl 5% (v/v) Glycerol 5 mM β-mercaptoethanol
experiment.sample.buffer.concentration_unitmM
experiment.sample.buffer.commentnull
experiment.sample.buffer.additive500 mM NaCl, 5% (vol/vol) glycerol, 5 mM β-mercaptoethanol
experiment.sample.buffer.concentration50.0
experiment.sample.buffer.pkanull
experiment.sample.buffer.ph6.2
experiment.sample.buffer.deuterationnull
experiment.sample.purity_methodnull
experiment.sample.nameComplex ComE-comcde
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[]
experiment.contributor[0].contributor_nameDominique
experiment.contributor[0].contributor_surnameDurand
experiment.contributor[0].orcidnull
experiment.concentration_methodnull
experiment.concentration_unitmg/ml
experiment.date2011-02-11
experiment.storage_temperature18.0
experiment.cell_temperature18.0
experiment.exposure_time1.2
experiment.number_of_frames6
experiment.wavelength0.1
experiment.sample_detector_distance1.82
experiment.concentration_minnull
experiment.concentration_max0.8
experiment.sample_volumenull
experiment.flow_ratenull
experiment.s_min0.112
experiment.s_max4.01
experiment.total_exposure_timenull
experiment.seccolumnnull
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fits[0].models[0].pdb_link[]
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fits[0].models[0].type_of_modelatomic
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fits[0].models[0].commentnull
fits[0].models[0].user40
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fits[0].softwarenull
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fits[0].p_value0.000478
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fits[0].descriptionnull
estimated_volume_methodnull
pddf_softwareATSAS GNOM
pddf_software_versionnull
i0_calibration_standardnull
descriptionUse of SAXS to describe the interaction between the phosphorylated mimetic mutant ComED58E of the response regulator ComE from S. pneumonia and its promoter region comcde. The complex is constituted of one dimer of ComE and one monomer of comcde. The SAXS data were collected directly after elution through an on-line size-exclusion high-performance liquid chromatography (SEC-HPLC) column. The molecular weight is not estimated from I(0) because the concentration of the complex cannot be accurately determined. It is obtained from the macromolecule volume using the method developed by Craievich’s team (the SAXS Mow program).
experiment_descriptionX-ray synchrotron radiation scattering data from solutions of complex ComE-comcde in 50 mM MES 500 mM NaCl, 5% (vol/vol) glycerol, 5 mM β-mercaptoethanol were collected on the SWING beamline on the storage ring SOLEIL (Saint-Aubin, France) using a CCD AVIEX detector (s = 4π sin θ/λ, where 2θ is the scattering angle). The sample was loaded on a SE-HPLC column on line with the SAXS measuring cell. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted. The scattered intensities were displayed on an absolute scale (cm-1) using the scattering of water. Frames were examined individually and 6 identical frames were averaged and further processed. The corresponding concentration was 0.8 g/L.
tags[]
intensity_unitnull
experimental_mw83.0
experimental_mw_errornull
guinier_i0_mwnull
guinier_i0_mw_errornull
porod_mw83.0
porod_mw_errornull
pddf_i00.0556
pddf_i0_errornull
guinier_i00.05529
guinier_i0_errornull
pddf_rg3.41
pddf_rg_errornull
guinier_rg3.37
guinier_rg_errornull
pddf_dmax10.7
pddf_dmax_errornull
porod_volume122.0
porod_volume_errornull
estimated_volumenull
estimated_volume_errornull
guinier_point_firstnull
guinier_point_lastnull
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDAB7_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
codeSASDAB7
statussuccess
started_at2026-08-11T15:25:49.060536+00:00
finished_at2026-08-11T15:26:02.008267+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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  "code": "SASDAB7",
  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/nm",
  "project": {
    "title": "Modeling the ComD/ComE/comcde interaction network using small angle X-ray scattering.",
    "publication": {
      "title": "Modeling the ComD/ComE/comcde interaction network using small angle X-ray scattering.",
      "author_list": "Sanchez D, Boudes M, van Tilbeurgh H, Durand D, Quevillon-Cheruel S",
      "journal": "FEBS J",
      "doi": "10.1111/febs.13240",
      "pmid": "25702779",
      "published_date": "2015 Apr"
    },
    "status": "released",
    "submitted_date": "2015-01-12",
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          "sequence": "5’-AAGTACACTTTGGGAGAAAAAAATGACAGTTGAGAGAA-3’\r\n3’-TTCATGTGAAACCCTCTTTTTTTACTGTCAACTCTCTT-5'",
          "organism": "Streptococcus pneumoniae",
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          "uniprot_range_first": null,
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          "oligomerization": "other",
          "molecular_type": "DNA",
          "uniprot_sequence": null,
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          "complex_state": null,
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          "molecule_source": "biological",
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        },
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          "organism": "Streptococcus pneumoniae",
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          "uniprot_range_first": 1,
          "uniprot_range_last": 250,
          "oligomerization": "dimer",
          "molecular_type": "protein",
          "uniprot_sequence": "MKVLILEDVIEHQVRLERILDEISKESNIPISYKTTGKVREFEEYIENDEVNQLYFLDID\nIHGIEKKGFEVAQLIRHYNPYAIIVFITSRSEFATLTYKYQVSALDFVDKDINDEMFKKR\nIEQNIFYTKSMLLENEDVVDYFDYNYKGNDLKIPYHDILYIETTGVSHKLRIIGKNFAKE\nFYGTMTDIQEKDKHTQRFYSPHKSFLVNIGNIREIDRKNLEIVFYEDHRCPISRLKIRKL\nKDILEKKSQK",
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          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
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        }
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        "name": "50 mM MES 500 mM NaCl 5% (v/v) Glycerol 5 mM β-mercaptoethanol",
        "concentration_unit": "mM",
        "comment": null,
        "additive": "500 mM NaCl, 5% (vol/vol) glycerol, 5 mM β-mercaptoethanol",
        "concentration": 50.0,
        "pka": null,
        "ph": 6.2,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Complex ComE-comcde",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [],
        "contributor_name": "Dominique",
        "contributor_surname": "Durand",
        "orcid": null
      }
    ],
    "concentration_method": null,
    "concentration_unit": "mg/ml",
    "date": "2011-02-11",
    "storage_temperature": 18.0,
    "cell_temperature": 18.0,
    "exposure_time": 1.2,
    "number_of_frames": 6,
    "wavelength": 0.1,
    "sample_detector_distance": 1.82,
    "concentration_min": null,
    "concentration_max": 0.8,
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    "s_min": 0.112,
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          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": null,
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDAB7_fit1_model1.pdb",
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      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDAB7_fit1_fit_img.png",
      "software": null,
      "chi_square_value": 1.214,
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      "fit_residual_plot": "fit4columns209_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDAB7_fit1.fit",
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  "description": "Use of SAXS to describe the interaction between the phosphorylated mimetic mutant ComED58E of the response regulator ComE from S. pneumonia and its promoter region comcde.\r\nThe complex is constituted of one dimer of ComE and one monomer of comcde.\r\nThe SAXS data were collected directly after elution through an on-line size-exclusion high-performance liquid chromatography (SEC-HPLC) column.\r\nThe molecular weight is not estimated from I(0) because the concentration of the complex cannot be accurately determined. It is obtained from the macromolecule volume using the method developed by Craievich’s team (the SAXS Mow program).",
  "experiment_description": "X-ray synchrotron radiation scattering data from solutions of complex ComE-comcde in 50 mM MES 500 mM NaCl, 5% (vol/vol) glycerol, 5 mM β-mercaptoethanol were collected on the SWING beamline on the storage ring SOLEIL (Saint-Aubin, France) using a CCD AVIEX detector (s = 4π sin θ/λ, where 2θ is the scattering angle). The sample was loaded on a SE-HPLC column on line with the SAXS measuring cell. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted. The scattered intensities were displayed on an absolute scale (cm-1) using the scattering of water. Frames were examined individually and 6 identical frames were averaged and further processed. The corresponding concentration was 0.8  g/L.",
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  "pddf_point_first": null,
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  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDAB7_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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