SASDEP4

Protein tyrosine phosphatase SHP2 with E76K activating mutation

Data type: SASBDB experimental data Status: Published Curve type: Merged Last updated: 2019-12-06T13:07:15.624532+01:00
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1. Samples, Components and Experimental Conditions Sample & Experiment

Sample 1 · Protein tyrosine phosphatase SHP2 with E76K activating mutation

Concentration0.76 – 12.2 Buffer / pH50 mM ADA, 2 mM TCEP / 6.5
Experimental temperature20.0 Facility / beamlineStanford Synchrotron Radiation Lightsource (SSRL) / BL4-2
Wavelength0.1127 nmExposure1.0 s × 10

Molecular Components

ComponentType / organismUniProt and ConstructOligomeric StateMolecular weight
Tyrosine-protein phosphatase non-receptor type 11 E76K
View sequence
GSGMTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAKLVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRI
proteinHomo sapiensQ061241–529monomerMolecule count 160.911 kDa

Experimental Curves

CurvePoints / columnsq rangeUncertainty qualityNegative-intensity pointsSource file
1365[3]0.0140536–0.350002 1/AHas uncertainty columnMissing 00sasbdb/entries/p4/sasdep4/source/SASDEP4.dat
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2. Measurements Reported by SASBDB Reported Results

MetricMethodValueUncertaintyUnit
dmaxP(r)9.53—Å
i0Guinier142.70.44arbitrary
i0P(r)143.3—arbitrary
mwExperimental53.15—kDa
rgGuinier2.910.062Å
rgP(r)2.95—Å

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 ADA, 2 mM TCEPBuffer concentration—
pH6.5Additives—
Buffer description—
Purity measurement method—Extinction coefficient—
Absorbance—Scattering contrast—
Specific volume / dry volume— / —Mixture / deuteration— / —

Acquisition Conditions and Instrument

Measurement date2016-03-28Storage / measurement temperature4.0 / 20.0
Exposure time1.0Frames10
Wavelength0.1127Sample-to-detector distance1.65
SourceX-ray synchrotronDetectorRayonix MX225-HE
Facility / beamlineStanford Synchrotron Radiation Lightsource (SSRL) / BL4-2 · Menlo Park, CA, USA
q range0.141 – 3.5Sample 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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curve:source record
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full_entry_zip:source record and ZIP contents (4 items)
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pddf:source record
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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:159 field values
Field pathRaw value
codeSASDEP4
statusPublished
type_of_curveMerged
angular_unit1/A
project.titleMechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
project.publication.titleMechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
project.publication.author_listPádua RAP, Sun Y, Marko I, Pitsawong W, Stiller JB, Otten R, Kern D
project.publication.journalNat Commun
project.publication.doi10.1038/s41467-018-06814-w
project.publication.pmid30375376
project.publication.published_date2018 Oct 30
project.statusreleased
project.submitted_date2018-09-14
project.released_date2018-11-05
pddf_datahttps://www.sasbdb.org/media/p_of_R_files/SASDEP4.out
intensities_datahttps://www.sasbdb.org/media/intensities_files/SASDEP4.dat
intensities_log_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEP4_dat_img.png
intensities_kratky_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEP4_kratky_img.png
pddf_plothttps://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEP4_pofr_img.png
intensities_guinier_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEP4_guinier_img.png
sascif_datahttps://www.sasbdb.org/media/sascif/sascif_files/SASDEP4.sascif
experiment.instrument.detector.typenull
experiment.instrument.detector.nameRayonix MX225-HE
experiment.instrument.detector.resolutionnull
experiment.instrument.nameStanford Synchrotron Radiation Lightsource (SSRL)
experiment.instrument.cityMenlo Park, CA
experiment.instrument.countryUSA
experiment.instrument.beamline_nameBL4-2
experiment.instrument.beam_geometrynull
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_nameTyrosine-protein phosphatase non-receptor type 11 E76K
experiment.sample.molecule[0].short_nameSHP2 E76K
experiment.sample.molecule[0].sequenceGSGMTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTG DYYDLYGGEKFATLAKLVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGK EAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYD VGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETT DKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEP VSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEV ERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHF RTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIR EKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRI
experiment.sample.molecule[0].organismHomo sapiens
experiment.sample.molecule[0].uniprot_codeQ06124
experiment.sample.molecule[0].uniprot_range_first1
experiment.sample.molecule[0].uniprot_range_last529
experiment.sample.molecule[0].oligomerizationmonomer
experiment.sample.molecule[0].molecular_typeprotein
experiment.sample.molecule[0].uniprot_sequenceMTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTG DYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGK EAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYD VGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETT DKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEP VSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEV ERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHF RTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIR EKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGH EYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR
experiment.sample.molecule[0].mw60.911
experiment.sample.molecule[0].total_mw60.911
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 ADA, 2 mM TCEP
experiment.sample.buffer.concentration_unitnull
experiment.sample.buffer.commentnull
experiment.sample.buffer.additivenull
experiment.sample.buffer.concentrationnull
experiment.sample.buffer.pkanull
experiment.sample.buffer.ph6.5
experiment.sample.buffer.deuterationnull
experiment.sample.purity_methodnull
experiment.sample.nameProtein tyrosine phosphatase SHP2 with E76K activating mutation
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].addressChevy Chase, USA
experiment.contributor[0].affiliation[0].full_nameHoward Hughes Medical Institute, Department of Biochemistry, Brandeis University
experiment.contributor[0].affiliation[0].webpagehttps://www.hhmi.org/
experiment.contributor[0].contributor_nameRIcardo
experiment.contributor[0].contributor_surnamePadua
experiment.contributor[0].orcidhttps://orcid.org/0000-0001-9719-3440
experiment.concentration_methodnull
experiment.concentration_unitnull
experiment.date2016-03-28
experiment.storage_temperature4.0
experiment.cell_temperature20.0
experiment.exposure_time1.0
experiment.number_of_frames10
experiment.wavelength0.1127
experiment.sample_detector_distance1.65
experiment.concentration_min0.76
experiment.concentration_max12.2
experiment.sample_volumenull
experiment.flow_ratenull
experiment.s_min0.141
experiment.s_max3.5
experiment.total_exposure_timenull
experiment.seccolumnnull
fits[0].models[0].model_plothttps://www.sasbdb.org/media/pdb_file/images/SASDEP4_fit1_model1_img.png
fits[0].models[0].softwareAllosMod
fits[0].models[0].pdb_link[0].pdb_code6cmq
fits[0].models[0].pdb_link[0].ext_code6CMQ
fits[0].models[0].pdb_link[0].ext_typepdb
fits[0].models[0].pdb_link[0].difference_with_modelderived
fits[0].models[0].model_titlenull
fits[0].models[0].type_of_modelatomic
fits[0].models[0].software_versionnull
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fits[0].models[0].model_mw60.91
fits[0].models[0].bead_radiusnull
fits[0].models[0].lognull
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fits[0].models[0].commentnull
fits[0].models[0].user367
fits[0].fit_unit1/A
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fits[0].softwareMultiFoXS
fits[0].chi_square_value2.535761
fits[0].p_value0.0
fits[0].fit_residual_plotmulti_state_model_88pdb_fitfoxsresiduals_img.png
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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
descriptionnull
experiment_descriptionSynchrotron SAXS data from solutions of Protein tyrosine phosphatase SHP2 with E76K activating mutation in 50 mM ADA, 2 mM TCEP, pH 6.5 were collected on the BL4-2 beam line at the Stanford Synchrotron Radiation Lightsource (SSRL; Stanford, CA, USA) using a Rayonix MX225-HE detector at a sample-detector distance of 1.7 m and at a wavelength of λ = 0.1127 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Solute concentrations ranging between 0.8 and 12.2 mg/ml were measured at 20°C. 10 successive 1 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. The low angle data collected at lower concentration were merged with the highest concentration high angle data to yield the final composite scattering curve.
tags[]
intensity_unitarbitrary
experimental_mw53.15
experimental_mw_errornull
guinier_i0_mwnull
guinier_i0_mw_errornull
porod_mwnull
porod_mw_errornull
pddf_i0143.3
pddf_i0_errornull
guinier_i0142.7
guinier_i0_error0.44
pddf_rg2.95
pddf_rg_errornull
guinier_rg2.91
guinier_rg_error0.062
pddf_dmax9.53
pddf_dmax_errornull
porod_volumenull
porod_volume_errornull
estimated_volumenull
estimated_volume_errornull
guinier_point_first2
guinier_point_last34
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDEP4_datloglog_img.png
symmetrynull
last_modified2019-12-06T13:07:15.624532+01:00
bragg_peak[]
manifest.json:36 field values
Field pathRaw value
codeSASDEP4
statussuccess
started_at2026-08-11T14:28:02.047392+00:00
finished_at2026-08-11T14:28:10.544630+00:00
source_last_modified2019-12-06T13:07:15.624532+01:00
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View the complete summary.json source
{
  "code": "SASDEP4",
  "status": "Published",
  "type_of_curve": "Merged",
  "angular_unit": "1/A",
  "project": {
    "title": "Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.",
    "publication": {
      "title": "Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.",
      "author_list": "Pádua RAP, Sun Y, Marko I, Pitsawong W, Stiller JB, Otten R, Kern D",
      "journal": "Nat Commun",
      "doi": "10.1038/s41467-018-06814-w",
      "pmid": "30375376",
      "published_date": "2018 Oct 30"
    },
    "status": "released",
    "submitted_date": "2018-09-14",
    "released_date": "2018-11-05"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDEP4.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDEP4.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEP4_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEP4_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEP4_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEP4_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDEP4.sascif",
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      },
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      "country": "USA",
      "beamline_name": "BL4-2",
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    "sample": {
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        {
          "long_name": "Tyrosine-protein phosphatase non-receptor type 11 E76K",
          "short_name": "SHP2 E76K",
          "sequence": "GSGMTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTG\r\nDYYDLYGGEKFATLAKLVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGK\r\nEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYD\r\nVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETT\r\nDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEP\r\nVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEV\r\nERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHF\r\nRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIR\r\nEKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRI",
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View the complete manifest.json source
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