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SASDBK5

Cyclohexanone monooxygenase, K328A

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 · Cyclohexanone monooxygenase, K328A

Concentration2.0 – 8.0 Buffer / pH50 mM Tris / 8.0
Experimental temperature20.0 Facility / beamlineAdvanced Light Source (ALS) / 12.3.1 (SIBYLS)
Wavelength0.1 nmExposure— s × 4

Molecular Components

ComponentType / organismUniProt and ConstructOligomeric StateMolecular weight
Cyclohexanone monooxygenase
View sequence
GSLEASMHMTAQTTHTVDAVVIGAGFGGIYAVHKLHHELGLTTVGFDKADGPGGTWYWNRYPGALSDTESHLYRFSFDRDLLQESTWKTTYITQPEILEYLEDVVDRFDLRRHFKFGTEVTSALYLDDENLWEVTTDHGEVYRAKYVVNAVGLLSAINFPNLPGLDTFEGETIHTAAWPEGKSLAGRRVGVIGTGSTGQQVITSLAPEVEHLTVFVRTPQYSVPVGNRPVNPEQIAEIKADYDRIWERAKNSAVAFGFEESTLPAMSVSEEERNRIFQEAWDHGGGFRFMFGTFGDIATDEAANEAAASFIRAKVAEIIEDPETARKLMPKGLFAARPLCDSGYYEVYNRPNVEAVAIKENPIREVTAKGVVTEDGVLHELDVLVFATGFDAVDGNYRRIEIRGRDGLHINDHWDGQPTSYLGVSTANFPNWFMVLGPNGPFTNLPPSIETQVEWISDTIGYAERNGVRAIEPTPEAEAEWTETCTEIANATLFTKGDSWIFGANIPGKKPSVLFYLGGLRNYRAVMAEVAADGYRGFEVKSAEMVTV
proteinRhodococcus sp. HI-31C0STX7—–—monomerMolecule count 160.689 kDa

Experimental Curves

CurvePoints / columnsq rangeUncertainty qualityNegative-intensity pointsSource file
1493[3]0.023413–0.322574 1/AHas uncertainty columnMissing 00sasbdb/entries/k5/sasdbk5/source/SASDBK5.dat
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2. Measurements Reported by SASBDB Reported Results

MetricMethodValueUncertaintyUnit
dmaxP(r)9.8—Å
i0Guinier152.0——
i0P(r)152.8——
mwExperimental60.69—kDa
mwGuinier I(0)72.9—kDa
porod_volumePorod110.0—ų
rgGuinier2.8—Å
rgP(r)2.85—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

This entry has no source fit record.

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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 TrisBuffer concentration—
pH8.0Additives—
Buffer description—
Purity measurement method—Extinction coefficient—
Absorbance—Scattering contrast—
Specific volume / dry volume— / —Mixture / deuteration— / —

Acquisition Conditions and Instrument

Measurement date2014-07-15Storage / measurement temperature— / 20.0
Exposure time—Frames4
Wavelength0.1Sample-to-detector distance1.5
SourceX-ray synchrotronDetectorMAR 165 CCD
Facility / beamlineAdvanced Light Source (ALS) / 12.3.1 (SIBYLS) · Berkeley, CA, USA
q range0.234 – 3.226Sample 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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full_entry_zip：source record and ZIP contents (2 items)
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pddf：source record
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sascif：source record
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summary：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
codeSASDBK5
statusPublished
type_of_curveMerged
angular_unit1/A
project.titleThe role of conformational flexibility in Baeyer-Villiger monooxygenase catalysis and structure.
project.publication.titleThe role of conformational flexibility in Baeyer-Villiger monooxygenase catalysis and structure.
project.publication.author_listYachnin BJ, Lau PCK, Berghuis AM
project.publication.journalBiochim Biophys Acta
project.publication.doi10.1016/j.bbapap.2016.08.015
project.publication.pmid27570148
project.publication.published_date2016 Dec
project.statusreleased
project.submitted_date2016-08-16
project.released_date2016-09-01
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experiment.instrument.detector.typenull
experiment.instrument.detector.nameMAR 165 CCD
experiment.instrument.detector.resolutionnull
experiment.instrument.nameAdvanced Light Source (ALS)
experiment.instrument.cityBerkeley, CA
experiment.instrument.countryUSA
experiment.instrument.beamline_name12.3.1 (SIBYLS)
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_nameCyclohexanone monooxygenase
experiment.sample.molecule[0].short_namenull
experiment.sample.molecule[0].sequenceGSLEASMHMTAQTTHTVDAVVIGAGFGGIYAVHKLHHELGLTTVGFDKADGPGGTWYWNRYPGALSDTESHLYRFSFDRDLLQESTWKTTYITQPEILEYLEDVVDRFDLRRHFKFGTEVTSALYLDDENLWEVTTDHGEVYRAKYVVNAVGLLSAINFPNLPGLDTFEGETIHTAAWPEGKSLAGRRVGVIGTGSTGQQVITSLAPEVEHLTVFVRTPQYSVPVGNRPVNPEQIAEIKADYDRIWERAKNSAVAFGFEESTLPAMSVSEEERNRIFQEAWDHGGGFRFMFGTFGDIATDEAANEAAASFIRAKVAEIIEDPETARKLMPKGLFAARPLCDSGYYEVYNRPNVEAVAIKENPIREVTAKGVVTEDGVLHELDVLVFATGFDAVDGNYRRIEIRGRDGLHINDHWDGQPTSYLGVSTANFPNWFMVLGPNGPFTNLPPSIETQVEWISDTIGYAERNGVRAIEPTPEAEAEWTETCTEIANATLFTKGDSWIFGANIPGKKPSVLFYLGGLRNYRAVMAEVAADGYRGFEVKSAEMVTV
experiment.sample.molecule[0].organismRhodococcus sp. HI-31
experiment.sample.molecule[0].uniprot_codeC0STX7
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_sequenceMTAQTTHTVDAVVIGAGFGGIYAVHKLHHELGLTTVGFDKADGPGGTWYWNRYPGALSDT ESHLYRFSFDRDLLQESTWKTTYITQPEILEYLEDVVDRFDLRRHFKFGTEVTSALYLDD ENLWEVTTDHGEVYRAKYVVNAVGLLSAINFPNLPGLDTFEGETIHTAAWPEGKSLAGRR VGVIGTGSTGQQVITSLAPEVEHLTVFVRTPQYSVPVGNRPVNPEQIAEIKADYDRIWER AKNSAVAFGFEESTLPAMSVSEEERNRIFQEAWDHGGGFRFMFGTFGDIATDEAANEAAA SFIRAKVAEIIEDPETARKLMPKGLFAKRPLCDSGYYEVYNRPNVEAVAIKENPIREVTA KGVVTEDGVLHELDVLVFATGFDAVDGNYRRIEIRGRDGLHINDHWDGQPTSYLGVSTAN FPNWFMVLGPNGPFTNLPPSIETQVEWISDTIGYAERNGVRAIEPTPEAEAEWTETCTEI ANATLFTKGDSWIFGANIPGKKPSVLFYLGGLRNYRAVMAEVAADGYRGFEVKSAEMVTV
experiment.sample.molecule[0].mw60.689
experiment.sample.molecule[0].total_mw60.689
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
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.nameCyclohexanone monooxygenase, K328A
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_nameMcGill
experiment.contributor[0].affiliation[0].addressMontreal, Quebec, Canada
experiment.contributor[0].affiliation[0].full_nameMcGill University
experiment.contributor[0].affiliation[0].webpagehttps://www.mcgill.ca/
experiment.contributor[0].contributor_nameAlbert
experiment.contributor[0].contributor_surnameBerghuis
experiment.contributor[0].orcidnull
experiment.concentration_methodnull
experiment.concentration_unitnull
experiment.date2014-07-15
experiment.storage_temperaturenull
experiment.cell_temperature20.0
experiment.exposure_timenull
experiment.number_of_frames4
experiment.wavelength0.1
experiment.sample_detector_distance1.5
experiment.concentration_min2.0
experiment.concentration_max8.0
experiment.sample_volumenull
experiment.flow_ratenull
experiment.s_min0.234
experiment.s_max3.226
experiment.total_exposure_timenull
experiment.seccolumnnull
fits[]
estimated_volume_methodnull
pddf_softwareATSAS GNOM
pddf_software_versionnull
i0_calibration_standardnull
descriptionnull
experiment_descriptionnull
tags[]
intensity_unitnull
experimental_mw60.69
experimental_mw_errornull
guinier_i0_mw72.9
guinier_i0_mw_errornull
porod_mwnull
porod_mw_errornull
pddf_i0152.8
pddf_i0_errornull
guinier_i0152.0
guinier_i0_errornull
pddf_rg2.85
pddf_rg_errornull
guinier_rg2.8
guinier_rg_errornull
pddf_dmax9.8
pddf_dmax_errornull
porod_volume110.0
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_plotSASDBK5_datloglog_img.png
symmetrynull
last_modified2019-12-06T13:07:15.624532+01:00
bragg_peak[]
manifest.json：36 field values
Field pathRaw value
codeSASDBK5
statussuccess
started_at2026-08-11T14:49:29.118466+00:00
finished_at2026-08-11T14:49:37.006175+00:00
source_last_modified2019-12-06T13:07:15.624532+01:00
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View the complete summary.json source
{
  "code": "SASDBK5",
  "status": "Published",
  "type_of_curve": "Merged",
  "angular_unit": "1/A",
  "project": {
    "title": "The role of conformational flexibility in Baeyer-Villiger monooxygenase catalysis and structure.",
    "publication": {
      "title": "The role of conformational flexibility in Baeyer-Villiger monooxygenase catalysis and structure.",
      "author_list": "Yachnin BJ, Lau PCK, Berghuis AM",
      "journal": "Biochim Biophys Acta",
      "doi": "10.1016/j.bbapap.2016.08.015",
      "pmid": "27570148",
      "published_date": "2016 Dec"
    },
    "status": "released",
    "submitted_date": "2016-08-16",
    "released_date": "2016-09-01"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDBK5.out",
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      "detector": {
        "type": null,
        "name": "MAR 165 CCD",
        "resolution": null
      },
      "name": "Advanced Light Source (ALS)",
      "city": "Berkeley, CA",
      "country": "USA",
      "beamline_name": "12.3.1 (SIBYLS)",
      "beam_geometry": "",
      "type_of_source": "X-ray synchrotron",
      "point_source": null,
      "line_collimation": null,
      "sample_path_length": null,
      "line_collimation_slitlength": null,
      "line_collimation_integrationwidth": null,
      "xray_energy": null,
      "beam_profile_ah": null,
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    },
    "sample": {
      "molecule": [
        {
          "long_name": "Cyclohexanone monooxygenase",
          "short_name": null,
          "sequence": "GSLEASMHMTAQTTHTVDAVVIGAGFGGIYAVHKLHHELGLTTVGFDKADGPGGTWYWNRYPGALSDTESHLYRFSFDRDLLQESTWKTTYITQPEILEYLEDVVDRFDLRRHFKFGTEVTSALYLDDENLWEVTTDHGEVYRAKYVVNAVGLLSAINFPNLPGLDTFEGETIHTAAWPEGKSLAGRRVGVIGTGSTGQQVITSLAPEVEHLTVFVRTPQYSVPVGNRPVNPEQIAEIKADYDRIWERAKNSAVAFGFEESTLPAMSVSEEERNRIFQEAWDHGGGFRFMFGTFGDIATDEAANEAAASFIRAKVAEIIEDPETARKLMPKGLFAARPLCDSGYYEVYNRPNVEAVAIKENPIREVTAKGVVTEDGVLHELDVLVFATGFDAVDGNYRRIEIRGRDGLHINDHWDGQPTSYLGVSTANFPNWFMVLGPNGPFTNLPPSIETQVEWISDTIGYAERNGVRAIEPTPEAEAEWTETCTEIANATLFTKGDSWIFGANIPGKKPSVLFYLGGLRNYRAVMAEVAADGYRGFEVKSAEMVTV",
          "organism": "Rhodococcus sp. HI-31",
          "uniprot_code": "C0STX7",
          "uniprot_range_first": null,
          "uniprot_range_last": null,
          "oligomerization": "monomer",
          "molecular_type": "protein",
          "uniprot_sequence": "MTAQTTHTVDAVVIGAGFGGIYAVHKLHHELGLTTVGFDKADGPGGTWYWNRYPGALSDT\nESHLYRFSFDRDLLQESTWKTTYITQPEILEYLEDVVDRFDLRRHFKFGTEVTSALYLDD\nENLWEVTTDHGEVYRAKYVVNAVGLLSAINFPNLPGLDTFEGETIHTAAWPEGKSLAGRR\nVGVIGTGSTGQQVITSLAPEVEHLTVFVRTPQYSVPVGNRPVNPEQIAEIKADYDRIWER\nAKNSAVAFGFEESTLPAMSVSEEERNRIFQEAWDHGGGFRFMFGTFGDIATDEAANEAAA\nSFIRAKVAEIIEDPETARKLMPKGLFAKRPLCDSGYYEVYNRPNVEAVAIKENPIREVTA\nKGVVTEDGVLHELDVLVFATGFDAVDGNYRRIEIRGRDGLHINDHWDGQPTSYLGVSTAN\nFPNWFMVLGPNGPFTNLPPSIETQVEWISDTIGYAERNGVRAIEPTPEAEAEWTETCTEI\nANATLFTKGDSWIFGANIPGKKPSVLFYLGGLRNYRAVMAEVAADGYRGFEVKSAEMVTV",
          "mw": 60.689,
          "total_mw": 60.689,
          "number_molecules": 1,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
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        "comment": null,
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        "concentration": null,
        "pka": null,
        "ph": 8.0,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Cyclohexanone monooxygenase, K328A",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
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        "affiliation": [
          {
            "short_name": "McGill",
            "address": "Montreal, Quebec, Canada",
            "full_name": "McGill University",
            "webpage": "https://www.mcgill.ca/"
          }
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        "contributor_name": "Albert",
        "contributor_surname": "Berghuis",
        "orcid": null
      }
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    "concentration_method": null,
    "concentration_unit": null,
    "date": "2014-07-15",
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    "number_of_frames": 4,
    "wavelength": 0.1,
    "sample_detector_distance": 1.5,
    "concentration_min": 2.0,
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View the complete manifest.json source
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