SASDAA9

EcPaaA2-EcParE2His construct

Data type: SASBDB experimental data Status: Published Curve type: Extrapolated to infinite dilution Last updated: 2019-12-06T13:07:15.624532+01:00

Use of SAXS to validate the oligomer state of the obtained crystal structure and to model missing afinity tags

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1. Samples, Components and Experimental Conditions Sample & Experiment

Sample 1 · EcPaaA2-EcParE2His construct

Concentration0.5 – 3.5 mg/mlBuffer / pH50 mM Tris-HCl 500 mM NaCl / 7.5
Experimental temperature10.0 Facility / beamlineESRF / BM29
Wavelength0.093 nmExposure2.0 s × 10

Molecular Components

ComponentType / organismUniProt and ConstructOligomeric StateMolecular weight
Plasmid stabilization protein ParE
View sequence
MLPVLWLESADTDLDDITSYIARFDIDAAERLWQRLRGCVLPLSEHPYLYPPSDRVPGLREIVAHPNYIILYRVTTSSVEVVNVIHARRQFPLEHHHHHH
proteinEscherichia coliA0A0D7C2L11–9216-merMolecule count 1611.726 kDa
Uncharacterized protein (Antitoxin)
View sequence
MDYKDDDDKNRALSPMVSEFETIEQENSYNEWLRAKVATSLADPRPAIPHDEVERRMAERFAKMRKERSKQ
proteinEscherichia coliA0A0F6F6Q914–7516-merMolecule count 168.458 kDa

Experimental Curves

CurvePoints / columnsq rangeUncertainty qualityNegative-intensity pointsSource file
11043[3]0.03637825–4.974514 1/nmHas uncertainty columnMissing 01sasbdb/entries/a9/sasdaa9/source/SASDAA9.dat
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2. Measurements Reported by SASBDB Reported Results

MetricMethodValueUncertaintyUnit
dmaxP(r)16.2—nm
i0Guinier230.37——
i0P(r)231.5——
mwExperimental250.0—kDa
mwGuinier I(0)250.0—kDa
mwPorod183.31—kDa
porod_volumePorod311.6—nm³
rgGuinier3.79—nm
rgP(r)3.837—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

Fit 1 · —

χ²: 1.17CorMap p: 0.0Unit: 1/A
ModelName / TypeSoftwareSymmetryModel MWPDB DeclarationSource file
1—mixCRYSOL —161.4—Model Image
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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 500 mM NaClBuffer concentration50.0 mM
pH7.5Additives500 mM NaCl
Buffer description—
Purity measurement method—Extinction coefficient—
Absorbance—Scattering contrast—
Specific volume / dry volume— / —Mixture / deuteration— / —

Acquisition Conditions and Instrument

Measurement date2014-12-09Storage / measurement temperature— / 10.0
Exposure time2.0Frames10
Wavelength0.093Sample-to-detector distance2.43
SourceX-ray synchrotronDetectorPilatus 1M
Facility / beamlineESRF / BM29 · Grenoble, France
q range0.036 – 4.975Sample 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:196 field values
Field pathRaw value
codeSASDAA9
statusPublished
type_of_curveExtrapolated to infinite dilution
angular_unit1/nm
project.titleA unique hetero-hexadecameric architecture displayed by the Escherichia coli O157 PaaA2-ParE2 antitoxin-toxin complex.
project.publication.titleA unique hetero-hexadecameric architecture displayed by the Escherichia coli O157 PaaA2-ParE2 antitoxin-toxin complex.
project.publication.author_listSterckx YG, Jové T, Shkumatov AV, Garcia-Pino A, Geerts L, De Kerpel M, Lah J, De Greve H, Van Melderen L, Loris R
project.publication.journalJ Mol Biol
project.publication.doi10.1016/j.jmb.2016.03.007
project.publication.pmid26996937
project.publication.published_date2016 Apr 24
project.statusreleased
project.submitted_date2015-08-24
project.released_date2016-03-18
pddf_datahttps://www.sasbdb.org/media/p_of_R_files/SASDAA9.out
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sascif_datahttps://www.sasbdb.org/media/sascif/sascif_files/SASDAA9.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_namePlasmid stabilization protein ParE
experiment.sample.molecule[0].short_nameEcParE2His
experiment.sample.molecule[0].sequenceMLPVLWLESADTDLDDITSYIARFDIDAAERLWQRLRGCVLPLSEHPYLYPPSDRVPGLREIVAHPNYIILYRVTTSSVEVVNVIHARRQFPLEHHHHHH
experiment.sample.molecule[0].organismEscherichia coli
experiment.sample.molecule[0].uniprot_codeA0A0D7C2L1
experiment.sample.molecule[0].uniprot_range_first1
experiment.sample.molecule[0].uniprot_range_last92
experiment.sample.molecule[0].oligomerization16-mer
experiment.sample.molecule[0].molecular_typeprotein
experiment.sample.molecule[0].uniprot_sequenceMLPVLWLESADTDLDDITSYIARFDIDAAERLWQRLRGCVLPLSEHPYLYPPSDRVPGLR EIVAHPNYIILYRVTTSSVEVVNVIHARRQFP
experiment.sample.molecule[0].mw11.726
experiment.sample.molecule[0].total_mw187.619
experiment.sample.molecule[0].number_molecules16
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.molecule[1].long_nameUncharacterized protein (Antitoxin)
experiment.sample.molecule[1].short_nameEcPaaA2
experiment.sample.molecule[1].sequenceMDYKDDDDKNRALSPMVSEFETIEQENSYNEWLRAKVATSLADPRPAIPHDEVERRMAERFAKMRKERSKQ
experiment.sample.molecule[1].organismEscherichia coli
experiment.sample.molecule[1].uniprot_codeA0A0F6F6Q9
experiment.sample.molecule[1].uniprot_range_first14
experiment.sample.molecule[1].uniprot_range_last75
experiment.sample.molecule[1].oligomerization16-mer
experiment.sample.molecule[1].molecular_typeprotein
experiment.sample.molecule[1].uniprot_sequencenull
experiment.sample.molecule[1].mw8.458
experiment.sample.molecule[1].total_mw135.334
experiment.sample.molecule[1].number_molecules16
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 Tris-HCl 500 mM NaCl
experiment.sample.buffer.concentration_unitmM
experiment.sample.buffer.commentnull
experiment.sample.buffer.additive500 mM NaCl
experiment.sample.buffer.concentration50.0
experiment.sample.buffer.pkanull
experiment.sample.buffer.ph7.5
experiment.sample.buffer.deuterationnull
experiment.sample.purity_methodnull
experiment.sample.nameEcPaaA2-EcParE2His construct
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_nameVUB
experiment.contributor[0].affiliation[0].addressPleinlaan 2 1050 Brussel
experiment.contributor[0].affiliation[0].full_nameVrije Universiteit Brussel
experiment.contributor[0].affiliation[0].webpagehttp://www.vub.ac.be/
experiment.contributor[0].contributor_nameAlexander
experiment.contributor[0].contributor_surnameShkumatov
experiment.contributor[0].orcidnull
experiment.concentration_methodnull
experiment.concentration_unitmg/ml
experiment.date2014-12-09
experiment.storage_temperaturenull
experiment.cell_temperature10.0
experiment.exposure_time2.0
experiment.number_of_frames10
experiment.wavelength0.093
experiment.sample_detector_distance2.43
experiment.concentration_min0.5
experiment.concentration_max3.5
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experiment.flow_ratenull
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experiment.seccolumnnull
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fits[1].softwarenull
fits[1].chi_square_value1.618
fits[1].p_value0.186268
fits[1].fit_residual_plotSASDAA9_fit2_fitresiduals_img.png
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fits[1].fit_lognull
fits[1].software_versionnull
fits[1].descriptionnull
estimated_volume_methodnull
pddf_softwareATSAS GNOM
pddf_software_versionnull
i0_calibration_standardnull
descriptionUse of SAXS to validate the oligomer state of the obtained crystal structure and to model missing afinity tags
experiment_descriptionnull
tags[]
intensity_unitnull
experimental_mw250.0
experimental_mw_errornull
guinier_i0_mw250.0
guinier_i0_mw_errornull
porod_mw183.31
porod_mw_errornull
pddf_i0231.5
pddf_i0_errornull
guinier_i0230.37
guinier_i0_errornull
pddf_rg3.837
pddf_rg_errornull
guinier_rg3.79
guinier_rg_errornull
pddf_dmax16.2
pddf_dmax_errornull
porod_volume311.6
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_plotSASDAA9_datloglog_img.png
symmetrynull
last_modified2019-12-06T13:07:15.624532+01:00
bragg_peak[]
manifest.json:36 field values
Field pathRaw value
codeSASDAA9
statussuccess
started_at2026-08-11T16:28:38.452611+00:00
finished_at2026-08-11T16:28:53.917794+00:00
source_last_modified2019-12-06T13:07:15.624532+01:00
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View the complete summary.json source
{
  "code": "SASDAA9",
  "status": "Published",
  "type_of_curve": "Extrapolated to infinite dilution",
  "angular_unit": "1/nm",
  "project": {
    "title": "A unique hetero-hexadecameric architecture displayed by the Escherichia coli O157 PaaA2-ParE2 antitoxin-toxin complex.",
    "publication": {
      "title": "A unique hetero-hexadecameric architecture displayed by the Escherichia coli O157 PaaA2-ParE2 antitoxin-toxin complex.",
      "author_list": "Sterckx YG, Jové T, Shkumatov AV, Garcia-Pino A, Geerts L, De Kerpel M, Lah J, De Greve H, Van Melderen L, Loris R",
      "journal": "J Mol Biol",
      "doi": "10.1016/j.jmb.2016.03.007",
      "pmid": "26996937",
      "published_date": "2016 Apr 24"
    },
    "status": "released",
    "submitted_date": "2015-08-24",
    "released_date": "2016-03-18"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDAA9.out",
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  "experiment": {
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        "name": "Pilatus 1M",
        "resolution": 172.0
      },
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      "country": "France",
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    },
    "sample": {
      "molecule": [
        {
          "long_name": "Plasmid stabilization protein ParE ",
          "short_name": "EcParE2His",
          "sequence": "MLPVLWLESADTDLDDITSYIARFDIDAAERLWQRLRGCVLPLSEHPYLYPPSDRVPGLREIVAHPNYIILYRVTTSSVEVVNVIHARRQFPLEHHHHHH",
          "organism": "Escherichia coli",
          "uniprot_code": "A0A0D7C2L1",
          "uniprot_range_first": 1,
          "uniprot_range_last": 92,
          "oligomerization": "16-mer",
          "molecular_type": "protein",
          "uniprot_sequence": "MLPVLWLESADTDLDDITSYIARFDIDAAERLWQRLRGCVLPLSEHPYLYPPSDRVPGLR\nEIVAHPNYIILYRVTTSSVEVVNVIHARRQFP",
          "mw": 11.726,
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