SASDDK3

Candida antarctica lipase B - with guanidine-HCl unfolding series, in the presence of dithiothreitol

Data type: SASBDB experimental data Status: Published Curve type: Single concentration Last updated: 2023-06-21T07:56:39.492710+02:00

In addition to the SAXS profile displayed above, two lipase B unfolding series in the presence of DTT spanning 0 M to 6 M guanidine hydrochloride are included in the full entry zip archive.

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1. Samples, Components and Experimental Conditions Sample & Experiment

Sample 1 · Candida antarctica lipase B - with guanidine-HCl unfolding series, in the presence of dithiothreitol

Concentration— – 4.65 Buffer / pH100 mM NaCl, 20 mM Na2HPO4, 10 mM DTT / 6.0
Experimental temperature10.0 Facility / beamlinePETRA III / EMBL P12
Wavelength0.124 nmExposure0.03 s × 29

Molecular Components

ComponentType / organismUniProt and ConstructOligomeric StateMolecular weight
Lipase B from Pseudozyma antarctica
View sequence
LPSGSDPAFSQPKSVLDAGLTCQGASPSSVSKPILLVPGTGTTGPQSFDSNWIPLSTQLGYTPCWISPPPFMLNDTQVNTEYMVNAITALYAGSGNNKLPVLTWSQGGLVAQWGLTFFPSIRSKVDRLMAFAPDYKGTVLAGPLDALAVSAPSVWQQTTGSALTTALRNAGGLTQIVPTTNLYSATDEIVQPQVSNSPLDSSYLFNGKNVQAQAVCGPLFVIDHAGSLTSQFSYVVGRSALRSTTGQARSADYGITDCNPLPANDLTPEQKVAAAALLAPAAAAIVAGPKQNCEPDLMPYARPFAVGKRTCSGIVTP
proteinMoesziomyces antarcticusP4136526–342otherMolecule count —33.022 kDa

Experimental Curves

CurvePoints / columnsq rangeUncertainty qualityNegative-intensity pointsSource file
11721[3]0.0535586–3.49086 1/nmHas uncertainty columnMissing 050sasbdb/entries/k3/sasddk3/source/SASDDK3.dat
▼

2. Measurements Reported by SASBDB Reported Results

MetricMethodValueUncertaintyUnit
i0Guinier1269.622.25arbitrary
mwExperimental35.1—kDa
mwGuinier I(0)35.1—kDa
rgGuinier2.360.1nm

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

This entry has no source fit record.

▶

4. Source File Index Source Files

▶

5. Experiment Description and Publication Experiment & Publication

▼

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 name100 mM NaCl, 20 mM Na2HPO4, 10 mM DTTBuffer concentration—
pH6.0Additives—
Buffer description—
Purity measurement method—Extinction coefficient—
Absorbance—Scattering contrast—
Specific volume / dry volume— / —Mixture / deuteration— / —

Acquisition Conditions and Instrument

Measurement date2013-07-29Storage / measurement temperature10.0 / 10.0
Exposure time0.03Frames29
Wavelength0.124Sample-to-detector distance3.1
SourceX-ray synchrotronDetectorPilatus 2M
Facility / beamlinePETRA III / EMBL P12 · DESY; Hamburg, Germany
q range0.054 – 3.491Sample 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

Downloadable Files

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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:134 field values
Field pathRaw value
codeSASDDK3
statusPublished
type_of_curveSingle concentration
angular_unit1/nm
project.titleMachine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions.
project.publication.titleMachine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions.
project.publication.author_listFranke D, Jeffries CM, Svergun DI
project.publication.journalBiophys J
project.publication.doi10.1016/j.bpj.2018.04.018
project.publication.pmid29874600
project.publication.published_date2018 Jun 5
project.statusreleased
project.submitted_datenull
project.released_date2018-06-07
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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
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experiment.sample.molecule[0].long_nameLipase B from Pseudozyma antarctica
experiment.sample.molecule[0].short_namelipase B
experiment.sample.molecule[0].sequenceLPSGSDPAFSQPKSVLDAGLTCQGASPSSVSKPILLVPGTGTTGPQSFDSNWIPLSTQLGYTPCWISPPPFMLNDTQVNT EYMVNAITALYAGSGNNKLPVLTWSQGGLVAQWGLTFFPSIRSKVDRLMAFAPDYKGTVLAGPLDALAVSAPSVWQQTTG SALTTALRNAGGLTQIVPTTNLYSATDEIVQPQVSNSPLDSSYLFNGKNVQAQAVCGPLFVIDHAGSLTSQFSYVVGRSA LRSTTGQARSADYGITDCNPLPANDLTPEQKVAAAALLAPAAAAIVAGPKQNCEPDLMPYARPFAVGKRTCSGIVTP
experiment.sample.molecule[0].organismMoesziomyces antarcticus
experiment.sample.molecule[0].uniprot_codeP41365
experiment.sample.molecule[0].uniprot_range_first26
experiment.sample.molecule[0].uniprot_range_last342
experiment.sample.molecule[0].oligomerizationother
experiment.sample.molecule[0].molecular_typeprotein
experiment.sample.molecule[0].uniprot_sequenceMKLLSLTGVAGVLATCVAATPLVKRLPSGSDPAFSQPKSVLDAGLTCQGASPSSVSKPIL LVPGTGTTGPQSFDSNWIPLSTQLGYTPCWISPPPFMLNDTQVNTEYMVNAITALYAGSG NNKLPVLTWSQGGLVAQWGLTFFPSIRSKVDRLMAFAPDYKGTVLAGPLDALAVSAPSVW QQTTGSALTTALRNAGGLTQIVPTTNLYSATDEIVQPQVSNSPLDSSYLFNGKNVQAQAV CGPLFVIDHAGSLTSQFSYVVGRSALRSTTGQARSADYGITDCNPLPANDLTPEQKVAAA ALLAPAAAAIVAGPKQNCEPDLMPYARPFAVGKRTCSGIVTP
experiment.sample.molecule[0].mw33.022
experiment.sample.molecule[0].total_mw33.022
experiment.sample.molecule[0].number_molecules0
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.name100 mM NaCl, 20 mM Na2HPO4, 10 mM DTT
experiment.sample.buffer.concentration_unitnull
experiment.sample.buffer.commentnull
experiment.sample.buffer.additivenull
experiment.sample.buffer.concentrationnull
experiment.sample.buffer.pkanull
experiment.sample.buffer.ph6.0
experiment.sample.buffer.deuterationnull
experiment.sample.purity_methodnull
experiment.sample.nameCandida antarctica lipase B - with guanidine-HCl unfolding series, in the presence of dithiothreitol
experiment.sample.ext_coefficientnull
experiment.sample.contrastnull
experiment.sample.specific_volnull
experiment.sample.dry_volnull
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experiment.sample.mixturenull
experiment.contributor[0].affiliation[0].short_nameEMBL-Hamburg
experiment.contributor[0].affiliation[0].addressNotkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany
experiment.contributor[0].affiliation[0].full_nameEuropean Molecular Biology Laboratory (EMBL) - Hamburg outstation
experiment.contributor[0].affiliation[0].webpagehttp://www.embl-hamburg.de/index.php
experiment.contributor[0].contributor_nameCy M
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experiment.contributor[0].orcidnull
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experiment.cell_temperature10.0
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fits[]
estimated_volume_methodnull
pddf_softwarenull
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descriptionIn addition to the SAXS profile displayed above, two lipase B unfolding series in the presence of DTT spanning 0 M to 6 M guanidine hydrochloride are included in the full entry zip archive.
experiment_descriptionSynchrotron SAXS data from solutions of Candida antarctica lipase B - with a guanidine-HCl unfolding series under reducing conditions - in 100 mM NaCl, 20 mM Na2HPO4, 10 mM DTT, pH 6, were collected on the EMBL-P12 beam line at the PETRA III storage ring (DESY, Hamburg, Germany) using a Pilatus 2M detector at a sample-detector distance of 3.1 m and at a wavelength of λ = 0.124 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 4.65 mg/ml was measured at 10°C. 29 successive 0.030 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.
tags[]
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guinier_point_last241
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i0_calibration_standard_datanull
intensities_log_log_plotSASDDK3_datloglog_img.png
symmetrynull
last_modified2023-06-21T07:56:39.492710+02:00
bragg_peak[]
manifest.json:33 field values
Field pathRaw value
codeSASDDK3
statussuccess
started_at2026-08-11T14:01:55.050169+00:00
finished_at2026-08-11T14:02:02.730272+00:00
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View the complete summary.json source
{
  "code": "SASDDK3",
  "status": "Published",
  "type_of_curve": "Single concentration",
  "angular_unit": "1/nm",
  "project": {
    "title": "Machine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions.",
    "publication": {
      "title": "Machine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions.",
      "author_list": "Franke D, Jeffries CM, Svergun DI",
      "journal": "Biophys J",
      "doi": "10.1016/j.bpj.2018.04.018",
      "pmid": "29874600",
      "published_date": "2018 Jun 5"
    },
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View the complete manifest.json source
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