SASDWK7

D52A mutant of ferric binding protein (FbpA) in holo (with Fe) form in high ionic strength (HIS) buffer (PBS)

Data type: SASBDB experimental data Status: Published Curve type: SEC-SAS Last updated: 2025-11-23T16:41:54.737508+01:00
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1. Samples, Components and Experimental Conditions Sample & Experiment

Sample 1 · D52A mutant of ferric binding protein (FbpA) in holo (with Fe) form in high ionic strength (HIS) buffer (PBS)

Concentration— – 14.4 Buffer / pH10 mM Na2HPO4 . 7H2O 1.8 mM KH2PO4 137 mM NaCl 2.7 mM KCl 5% v/v Glycerol / 7.4
Experimental temperature10.0 Facility / beamlinePETRA III / EMBL P12
Wavelength0.123987 nmExposure0.995 s × 3600

Molecular Components

ComponentType / organismUniProt and ConstructOligomeric StateMolecular weight
Iron-utilization periplasmic protein
View sequence
SDITVYNGQHKEAATAVAKAFEQETGIKVTLNSGKSEQLAGQLKEEGDKTPAAVFYTEQTATFADLSEAGLLAPISEQTIQQTAQKGVPLAPKKDWIALSGRSRVVVYDHTKLSEKDMEKSVLDYATPKWKGKIGYVSTSGAFLEQVVALSKMKGDKVALNWLKGLKENGKLYAKNSVALQAVENGEVPAALINNYYWYNLAKEKGVENLKSRLYFVRHQDPGALVSYSGAAVLKASKNQAEAQKFVDFLASKKGQEALVAARAEYPLRADVVSPFNLEPYEKLEAPVVSATTAQDKEHAIKLIEEAGLK
proteinHaemophilus influenzaeP3575523–332monomerMolecule count 133.768 kDa

Experimental Curves

CurvePoints / columnsq rangeUncertainty qualityNegative-intensity pointsSource file
12601[3]0.0888928–7.28886 1/nmHas uncertainty columnMissing 016sasbdb/entries/k7/sasdwk7/source/SASDWK7.dat
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2. Measurements Reported by SASBDB Reported Results

MetricMethodValueUncertaintyUnit
dmaxP(r)5.86—nm
i0Guinier7088.823.38arbitrary
i0P(r)7077.0—arbitrary
mwExperimental32.223—kDa
mwGuinier I(0)29754.0—kDa
mwPorod24.3—kDa
porod_volumePorod33.3—nm³
rgGuinier1.9930.002nm
rgP(r)1.976—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 name10 mM Na2HPO4 . 7H2O 1.8 mM KH2PO4 137 mM NaCl 2.7 mM KCl 5% v/v GlycerolBuffer concentration—
pH7.4Additives—
Buffer descriptionPBS buffer
Purity measurement method—Extinction coefficient—
Absorbance—Scattering contrast—
Specific volume / dry volume— / —Mixture / deuteration— / —

Acquisition Conditions and Instrument

Measurement date2019-12-09Storage / measurement temperature4.0 / 10.0
Exposure time0.995Frames3600
Wavelength0.123987Sample-to-detector distance3.0
SourceX-ray synchrotronDetectorPilatus 6M
Facility / beamlinePETRA III / EMBL P12 · DESY; Hamburg, Germany
q range0.089 – 7.289Sample volume / flow rate75.0 / 0.5

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:163 field values
Field pathRaw value
codeSASDWK7
statusPublished
type_of_curveSEC-SAS
angular_unit1/nm
project.titleConformational multiplicity of bacterial ferric binding protein revealed by small angle x-ray scattering and molecular dynamics calculations
project.publication.titleConformational multiplicity of bacterial ferric binding protein revealed by small angle x-ray scattering and molecular dynamics calculations
project.publication.author_listLiu G, Ekmen E, Jalalypour F, Mertens H, Jeffries C, Svergun D, Atilgan A, Atilgan C, Sayers Z
project.publication.journalThe Journal of Chemical Physics
project.publication.doi10.1063/5.0136558
project.publication.pmidnull
project.publication.published_date2023 Feb 24
project.statusreleased
project.submitted_date2025-02-13
project.released_date2025-07-28
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experiment.instrument.detector.typenull
experiment.instrument.detector.namePilatus 6M
experiment.instrument.detector.resolutionnull
experiment.instrument.namePETRA III
experiment.instrument.cityDESY; Hamburg
experiment.instrument.countryGermany
experiment.instrument.beamline_nameEMBL P12
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_nameIron-utilization periplasmic protein
experiment.sample.molecule[0].short_nameFBPA_HAEIN
experiment.sample.molecule[0].sequenceSDITVYNGQHKEAATAVAKAFEQETGIKVTLNSGKSEQLAGQLKEEGDKTPAAVFYTEQTATFADLSEAGLLAPISEQTIQQTAQKGVPLAPKKDWIALSGRSRVVVYDHTKLSEKDMEKSVLDYATPKWKGKIGYVSTSGAFLEQVVALSKMKGDKVALNWLKGLKENGKLYAKNSVALQAVENGEVPAALINNYYWYNLAKEKGVENLKSRLYFVRHQDPGALVSYSGAAVLKASKNQAEAQKFVDFLASKKGQEALVAARAEYPLRADVVSPFNLEPYEKLEAPVVSATTAQDKEHAIKLIEEAGLK
experiment.sample.molecule[0].organismHaemophilus influenzae
experiment.sample.molecule[0].uniprot_codeP35755
experiment.sample.molecule[0].uniprot_range_first23
experiment.sample.molecule[0].uniprot_range_last332
experiment.sample.molecule[0].oligomerizationmonomer
experiment.sample.molecule[0].molecular_typeprotein
experiment.sample.molecule[0].uniprot_sequenceMQFKHFKLATLAAALAFSANSFADITVYNGQHKEAATAVAKAFEQETGIKVTLNSGKSEQ LAGQLKEEGDKTPADVFYTEQTATFADLSEAGLLAPISEQTIQQTAQKGVPLAPKKDWIA LSGRSRVVVYDHTKLSEKDMEKSVLDYATPKWKGKIGYVSTSGAFLEQVVALSKMKGDKV ALNWLKGLKENGKLYAKNSVALQAVENGEVPAALINNYYWYNLAKEKGVENLKSRLYFVR HQDPGALVSYSGAAVLKASKNQAEAQKFVDFLASKKGQEALVAARAEYPLRADVVSPFNL EPYEKLEAPVVSATTAQDKEHAIKLIEEAGLK
experiment.sample.molecule[0].mw33.768
experiment.sample.molecule[0].total_mw33.768
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.name10 mM Na2HPO4 . 7H2O 1.8 mM KH2PO4 137 mM NaCl 2.7 mM KCl 5% v/v Glycerol
experiment.sample.buffer.concentration_unitnull
experiment.sample.buffer.commentPBS buffer
experiment.sample.buffer.additivenull
experiment.sample.buffer.concentrationnull
experiment.sample.buffer.pkanull
experiment.sample.buffer.ph7.4
experiment.sample.buffer.deuterationnull
experiment.sample.purity_methodnull
experiment.sample.nameD52A mutant of ferric binding protein (FbpA) in holo (with Fe) form in high ionic strength (HIS) buffer (PBS)
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].addressnull
experiment.contributor[0].affiliation[0].full_nameSabanci University
experiment.contributor[0].affiliation[0].webpagenull
experiment.contributor[0].contributor_nameGoksin
experiment.contributor[0].contributor_surnameLiu
experiment.contributor[0].orcid
experiment.contributor[1].affiliation[0].short_namenull
experiment.contributor[1].affiliation[0].addressnull
experiment.contributor[1].affiliation[0].full_nameSabanci University
experiment.contributor[1].affiliation[0].webpagenull
experiment.contributor[1].contributor_nameZehra
experiment.contributor[1].contributor_surnameSayers
experiment.contributor[1].orcid
experiment.concentration_methodnull
experiment.concentration_unitnull
experiment.date2019-12-09
experiment.storage_temperature4.0
experiment.cell_temperature10.0
experiment.exposure_time0.995
experiment.number_of_frames3600
experiment.wavelength0.123987
experiment.sample_detector_distance3.0
experiment.concentration_minnull
experiment.concentration_max14.4
experiment.sample_volume75.0
experiment.flow_rate0.5
experiment.s_min0.089
experiment.s_max7.289
experiment.total_exposure_timenull
experiment.seccolumn1
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fits[0].chi_square_value1.112
fits[0].p_value0.0106
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pddf_softwareATSAS GNOM
pddf_software_version5.0
i0_calibration_standardnull
descriptionnull
experiment_descriptionnull
tags[]
intensity_unitarbitrary
experimental_mw32.223
experimental_mw_errornull
guinier_i0_mw29754.0
guinier_i0_mw_errornull
porod_mw24.3
porod_mw_errornull
pddf_i07077.0
pddf_i0_errornull
guinier_i07088.82
guinier_i0_error3.38
pddf_rg1.976
pddf_rg_errornull
guinier_rg1.993
guinier_rg_error0.002
pddf_dmax5.86
pddf_dmax_errornull
porod_volume33.3
porod_volume_errornull
estimated_volumenull
estimated_volume_errornull
guinier_point_first9
guinier_point_last204
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDWK7_datloglog_img.png
symmetrynull
last_modified2025-11-23T16:41:54.737508+01:00
bragg_peak[]
manifest.json:34 field values
Field pathRaw value
codeSASDWK7
statussuccess
started_at2026-08-11T15:32:31.225438+00:00
finished_at2026-08-11T15:32:40.182851+00:00
source_last_modified2025-11-23T16:41:54.737508+01:00
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View the complete summary.json source
{
  "code": "SASDWK7",
  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/nm",
  "project": {
    "title": "Conformational multiplicity of bacterial ferric binding protein revealed by small angle x-ray scattering and molecular dynamics calculations",
    "publication": {
      "title": "Conformational multiplicity of bacterial ferric binding protein revealed by small angle x-ray scattering and molecular dynamics calculations",
      "author_list": "Liu G, Ekmen E, Jalalypour F, Mertens H, Jeffries C, Svergun D, Atilgan A, Atilgan C, Sayers Z",
      "journal": "The Journal of Chemical Physics",
      "doi": "10.1063/5.0136558",
      "pmid": null,
      "published_date": "2023 Feb 24"
    },
    "status": "released",
    "submitted_date": "2025-02-13",
    "released_date": "2025-07-28"
  },
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  "experiment": {
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      },
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      "city": "DESY; Hamburg",
      "country": "Germany",
      "beamline_name": "EMBL P12",
      "beam_geometry": null,
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          "long_name": "Iron-utilization periplasmic protein",
          "short_name": "FBPA_HAEIN",
          "sequence": "SDITVYNGQHKEAATAVAKAFEQETGIKVTLNSGKSEQLAGQLKEEGDKTPAAVFYTEQTATFADLSEAGLLAPISEQTIQQTAQKGVPLAPKKDWIALSGRSRVVVYDHTKLSEKDMEKSVLDYATPKWKGKIGYVSTSGAFLEQVVALSKMKGDKVALNWLKGLKENGKLYAKNSVALQAVENGEVPAALINNYYWYNLAKEKGVENLKSRLYFVRHQDPGALVSYSGAAVLKASKNQAEAQKFVDFLASKKGQEALVAARAEYPLRADVVSPFNLEPYEKLEAPVVSATTAQDKEHAIKLIEEAGLK",
          "organism": "Haemophilus influenzae",
          "uniprot_code": "P35755",
          "uniprot_range_first": 23,
          "uniprot_range_last": 332,
          "oligomerization": "monomer",
          "molecular_type": "protein",
          "uniprot_sequence": "MQFKHFKLATLAAALAFSANSFADITVYNGQHKEAATAVAKAFEQETGIKVTLNSGKSEQ\nLAGQLKEEGDKTPADVFYTEQTATFADLSEAGLLAPISEQTIQQTAQKGVPLAPKKDWIA\nLSGRSRVVVYDHTKLSEKDMEKSVLDYATPKWKGKIGYVSTSGAFLEQVVALSKMKGDKV\nALNWLKGLKENGKLYAKNSVALQAVENGEVPAALINNYYWYNLAKEKGVENLKSRLYFVR\nHQDPGALVSYSGAAVLKASKNQAEAQKFVDFLASKKGQEALVAARAEYPLRADVVSPFNL\nEPYEKLEAPVVSATTAQDKEHAIKLIEEAGLK",
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          "number_molecules": 1,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
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        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 7.4,
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      },
      "purity_method": null,
      "name": "D52A mutant of ferric binding protein (FbpA) in holo (with Fe) form in high ionic strength (HIS) buffer (PBS)",
      "ext_coefficient": null,
      "contrast": null,
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      "mixture": null
    },
    "contributor": [
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        "affiliation": [
          {
            "short_name": null,
            "address": null,
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View the complete manifest.json source
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