SASDED9

Relaxase domain of TraI

Data type: SASBDB experimental data Status: Published Curve type: SEC-SAS Last updated: 2019-12-06T13:07:15.624532+01:00

Please note: The protein contains unstructured regions that impart a level of flexibility to the overall structure in solution. As a consequence, the conformational state(s) sampled by the protein differs from - and cannot be captured by - the single predicted PHYRE2 atomistic model/representation displayed in this entry (as evidenced by the poor fit of the model to the SAXS data; bottom).

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1. Samples, Components and Experimental Conditions Sample & Experiment

Sample 1 · Relaxase domain of TraI

Concentration— – 19.7 Buffer / pH50 mM TRIS-HCl 100 mM NaCl / 8.0
Experimental temperature4.0 Facility / beamlineESRF / BM29
Wavelength0.099 nmExposure2.0 s × 1500

Molecular Components

ComponentType / organismUniProt and ConstructOligomeric StateMolecular weight
Relaxase (Tra_2) domain of TraI
View sequence
MHHHHHHSTDSVSHNDEVAHINQNIVNDRFRILNAHELIQVLDLSPQISGIKMNLGLSDENWSKDALPFLEKYIAFVQRLPASESHHHAGDGGLVRHTLDVAALALVASTSQSWPPNAKTEEIAKKTAVWRYGIMCAALLHDVGKTVTGFQVELFDSAISLEKLLWLPDTGSMAESGKLYYRVEFPDAKSAYSTHAEIAWTFFQALVPSHVRQWLATTDPNLMITLRNYLSGKKDGSPLEQLIKNADMTSVSRDLRSGSRQRFSTAKRKPFIETIMETLKEMLSDRGVHFSIATTAGGDLFRKGDRIYLMSKNVPDYIRQYLRKNQHPAAGSFPADNQRIFDTLFEYRAVIPPENDPHRAINHIEVEFTRMDGEKVRNIFSVLCFNAKTLYPDGDYPTEFLGNLSEV
proteinNeisseria gonorrhoeaeQ5EPC7—–—monomerMolecule count 146.027 kDa

Experimental Curves

CurvePoints / columnsq rangeUncertainty qualityNegative-intensity pointsSource file
11043[3]0.0349255451358953–4.959546232094606 1/nmHas uncertainty columnMissing 08sasbdb/entries/d9/sasded9/source/SASDED9.dat
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2. Measurements Reported by SASBDB Reported Results

MetricMethodValueUncertaintyUnit
dmaxP(r)8.25—nm
i0Guinier74.670.07—
i0P(r)75.59——
mwExperimental42.07—kDa
mwPorod47.44—kDa
porod_volumePorod60.74—nm³
rgGuinier2.640.07nm
rgP(r)2.711—nm

These values are reported by SASBDB; SAXSdb did not recalculate them from the experimental curve.

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3. Source Fits and Models Source Fits & Models

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4. Source File Index Source Files

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5. Experiment Description and Publication Experiment & Publication

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6. Complete Source Record Complete Source Record

The following content comes directly from the SASBDB entry. Missing values are shown as “—”; SAXSdb does not infer undeclared units.

Open the original SASBDB entry

Buffer and Sample Properties

Buffer name50 mM TRIS-HCl 100 mM NaClBuffer concentration—
pH8.0Additives—
Buffer description—
Purity measurement method—Extinction coefficient—
Absorbance—Scattering contrast—
Specific volume / dry volume— / —Mixture / deuteration— / —

Acquisition Conditions and Instrument

Measurement date2018-07-11Storage / measurement temperature4.0 / 4.0
Exposure time2.0Frames1500
Wavelength0.099Sample-to-detector distance2.867
SourceX-ray synchrotronDetectorPilatus 1M
Facility / beamlineESRF / BM29 · Grenoble, France
q range0.035 – 4.96Sample volume / flow rate— / —

Original SASBDB Plots

Experimental I(q)
Experimental I(q)
Experimental I(q), log-log
Experimental I(q), log-log
Guinier plot
Guinier plot
Kratky plot
Kratky plot
P(r) plot
P(r) plot

Downloadable Files

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All source fields (unfiltered)

Every source field is expanded here, including empty values, list members and fields already shown above.

summary.json:179 field values
Field pathRaw value
codeSASDED9
statusPublished
type_of_curveSEC-SAS
angular_unit1/nm
project.titleDNA processing by the MOBH family relaxase TraI encoded within the gonococcal genetic island.
project.publication.titleDNA processing by the MOBH family relaxase TraI encoded within the gonococcal genetic island.
project.publication.author_listHeilers JH, Reiners J, Heller EM, Golzer A, Smits SHJ, van der Does C
project.publication.journalNucleic Acids Res
project.publication.doi10.1093/nar/gkz577
project.publication.pmid31276596
project.publication.published_date2019 Sep 5
project.statusreleased
project.submitted_date2018-12-22
project.released_date2019-07-09
pddf_datahttps://www.sasbdb.org/media/p_of_R_files/SASDED9.out
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pddf_plothttps://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDED9_pofr_img.png
intensities_guinier_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDED9_guinier_img.png
sascif_datahttps://www.sasbdb.org/media/sascif/sascif_files/SASDED9.sascif
experiment.instrument.detector.typeDectris
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
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_nameRelaxase (Tra_2) domain of TraI
experiment.sample.molecule[0].short_nameTra_2
experiment.sample.molecule[0].sequenceMHHHHHHSTDSVSHNDEVAHINQNIVNDRFRILNAHELIQVLDLSPQISGIKMNLGLSDE NWSKDALPFLEKYIAFVQRLPASESHHHAGDGGLVRHTLDVAALALVASTSQSWPPNAKT EEIAKKTAVWRYGIMCAALLHDVGKTVTGFQVELFDSAISLEKLLWLPDTGSMAESGKLY YRVEFPDAKSAYSTHAEIAWTFFQALVPSHVRQWLATTDPNLMITLRNYLSGKKDGSPLE QLIKNADMTSVSRDLRSGSRQRFSTAKRKPFIETIMETLKEMLSDRGVHFSIATTAGGDL FRKGDRIYLMSKNVPDYIRQYLRKNQHPAAGSFPADNQRIFDTLFEYRAVIPPENDPHRA INHIEVEFTRMDGEKVRNIFSVLCFNAKTLYPDGDYPTEFLGNLSEV
experiment.sample.molecule[0].organismNeisseria gonorrhoeae
experiment.sample.molecule[0].uniprot_codeQ5EPC7
experiment.sample.molecule[0].uniprot_range_firstnull
experiment.sample.molecule[0].uniprot_range_lastnull
experiment.sample.molecule[0].oligomerizationmonomer
experiment.sample.molecule[0].molecular_typeprotein
experiment.sample.molecule[0].uniprot_sequenceMKTSLLTIASSLMLVSGSMLYLINTRKSTDSVSHNDEVAHINQNIVNDRFRILNAHELIQ VLDLSPQISGIKMNLGLSDENWSKDALPFLEKYIAFVQRLPASESHHHAGDGGLVRHTLD VAALALVASTSQSWPPNAKTEEIAKKTAVWRYGIMCAALLHDVGKTVTGFQVELFDSAIS LEKLLWLPDTGSMAESGKLYYRVEFPDAKSAYSTHAEIAWTFFQALVPSHVRQWLATTDP NLMITLRNYLSGKKDGSPLEQLIKNADMTSVSRDLRSGSRQRFSTAKRKPFIETIMETLK EMLSDRGVHFSIATTAGGDLFRKGDRIYLMSKNVPDYIRQYLRKNQHPAAGSFPADNQRI FDTLFEYRAVIPPENDPHRAINHIEVEFTRMDGEKVRNIFSVLCFNAKTLYPDGDYPTEF LGNLSEVSAKKEIPDVVVSEDKVSTQIQGAEDNPVTMTKDKMDFLSIQPVTAEQPPLPEK NQTETANSAFDNSMNTAAPAENKSSESEKAKEPGYGTIDNLIENFNLIEADSEQTESTKS EAETAENAVNLVQENIRVEVKTETVDKPRAEVKETETDKAPKTIKSGTKASRKKLAGLFA DNRKPIGKTAEPDAQIKTTETVTHQIDSEAVSLPESESAQNGMRELERLRLREPTSSPRP VQVMDDSEGLDSLASGVKNMAELEAIVSERNLKKQSETESTEIVEDSVKAKHMEARDRGM QFLRWLADGLGDGSIAVNRSGATVHFIEQGMLLVTPAVFRDYAGGVFNKSDTESLGPLTQ KGFEALRLHARTKKSSLHRVLTTNGSNRRLFYCYLIPEHNIQHIIQPGSRPQNNTDIKLD ESDLLVMEQK
experiment.sample.molecule[0].mw46.027
experiment.sample.molecule[0].total_mw46.027
experiment.sample.molecule[0].number_molecules1
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.name50 mM TRIS-HCl 100 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.nameRelaxase domain of TraI
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].addressDüsseldorf, Germany
experiment.contributor[0].affiliation[0].full_nameHeinrich Heine University Düsseldorf
experiment.contributor[0].affiliation[0].webpagehttps://www.uni-duesseldorf.de
experiment.contributor[0].contributor_nameJens
experiment.contributor[0].contributor_surnameReiners
experiment.contributor[0].orcid
experiment.concentration_methodnull
experiment.concentration_unitnull
experiment.date2018-07-11
experiment.storage_temperature4.0
experiment.cell_temperature4.0
experiment.exposure_time2.0
experiment.number_of_frames1500
experiment.wavelength0.099
experiment.sample_detector_distance2.867
experiment.concentration_minnull
experiment.concentration_max19.7
experiment.sample_volumenull
experiment.flow_ratenull
experiment.s_min0.035
experiment.s_max4.96
experiment.total_exposure_timenull
experiment.seccolumnnull
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fits[0].models[0].commentnull
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fits[0].softwareGASBOR
fits[0].chi_square_value3.12
fits[0].p_value1e-06
fits[0].fit_residual_plotTraIsecA_aBXjbK6_fitresiduals_img.png
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fits[0].description
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fits[1].models[0].softwarePhyre2
fits[1].models[0].pdb_link[]
fits[1].models[0].model_titlenull
fits[1].models[0].type_of_modelatomic
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fits[1].models[0].bead_radiusnull
fits[1].models[0].lognull
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fits[1].models[0].commentnull
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fits[1].fit_unit1/A
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fits[1].softwareCRYSOL
fits[1].chi_square_value91.005
fits[1].p_value0.0
fits[1].fit_residual_plotTraImodel00_fitresiduals_img.png
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fits[1].fit_lognull
fits[1].software_versionnull
fits[1].description
estimated_volume_methodnull
pddf_softwareATSAS GNOM
pddf_software_version5.0
i0_calibration_standardnull
descriptionPlease note: The protein contains unstructured regions that impart a level of flexibility to the overall structure in solution. As a consequence, the conformational state(s) sampled by the protein differs from - and cannot be captured by - the single predicted PHYRE2 atomistic model/representation displayed in this entry (as evidenced by the poor fit of the model to the SAXS data; bottom).
experiment_descriptionSynchrotron SAXS data from solutions of the relaxase domain of TraI in 50 mM TRIS-HCl, pH 8, 100 mM NaCl, were collected on the BM29 beam line at the ESRF storage ring (Grenoble, France) using a 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). Possible aggregates were removed using a Superdex 200 10/300 (GE Healthcare) size-exclusion chromatography (SEC) column pre-equilibrated with buffer at a flow rate of 0.5 mL/min at the EMBL-Lab outstation (Grenoble). All measurements were performed at 4°C with a sample injection concentration of 19.7 mg/mL. For online-SEC one frame was collected every two seconds and for static measurements ten frames of data were collected with total exposure time of one second. By comparison of these frames, the possibility of radiation damage during the measurement was excluded. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted. All used programs for data processing were part of the ATSAS Software package (Version 2.8.4).
tags[]
intensity_unitnull
experimental_mw42.07
experimental_mw_errornull
guinier_i0_mwnull
guinier_i0_mw_errornull
porod_mw47.44
porod_mw_errornull
pddf_i075.59
pddf_i0_errornull
guinier_i074.67
guinier_i0_error0.07
pddf_rg2.711
pddf_rg_errornull
guinier_rg2.64
guinier_rg_error0.07
pddf_dmax8.25
pddf_dmax_errornull
porod_volume60.74
porod_volume_errornull
estimated_volumenull
estimated_volume_errornull
guinier_point_first39
guinier_point_last95
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDED9_datloglog_img.png
symmetrynull
last_modified2019-12-06T13:07:15.624532+01:00
bragg_peak[]
manifest.json:36 field values
Field pathRaw value
codeSASDED9
statussuccess
started_at2026-08-11T16:11:53.515666+00:00
finished_at2026-08-11T16:12:07.347966+00:00
source_last_modified2019-12-06T13:07:15.624532+01:00
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View the complete summary.json source
{
  "code": "SASDED9",
  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/nm",
  "project": {
    "title": "DNA processing by the MOBH family relaxase TraI encoded within the gonococcal genetic island.",
    "publication": {
      "title": "DNA processing by the MOBH family relaxase TraI encoded within the gonococcal genetic island.",
      "author_list": "Heilers JH, Reiners J, Heller EM, Golzer A, Smits SHJ, van der Does C",
      "journal": "Nucleic Acids Res",
      "doi": "10.1093/nar/gkz577",
      "pmid": "31276596",
      "published_date": "2019 Sep 5"
    },
    "status": "released",
    "submitted_date": "2018-12-22",
    "released_date": "2019-07-09"
  },
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  "experiment": {
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        "resolution": 172.0
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      "country": "France",
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      "line_collimation_slitlength": null,
      "line_collimation_integrationwidth": null,
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          "organism": "Neisseria gonorrhoeae",
          "uniprot_code": "Q5EPC7",
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          "uniprot_range_last": null,
          "oligomerization": "monomer",
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      "name": "Relaxase domain of TraI",
      "ext_coefficient": null,
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    "contributor": [
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        "affiliation": [
          {
            "short_name": null,
            "address": "Düsseldorf, Germany",
            "full_name": "Heinrich Heine University Düsseldorf",
            "webpage": "https://www.uni-duesseldorf.de"
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        "contributor_name": "Jens",
        "contributor_surname": "Reiners",
        "orcid": ""
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  "symmetry": null,
  "last_modified": "2019-12-06T13:07:15.624532+01:00",
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}
View the complete manifest.json source
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