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SASDBV5

Cyclopentadecanone monooxygenase, NADP+, wild-type

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 · Cyclopentadecanone monooxygenase, NADP+, wild-type

Concentration2.25 – 9.0 Buffer / pH50 mM Tris 2 mM TCEP 5 mM NADP+ / 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
Cyclopentadecanone 1,2-monooxygenase
View sequence
GSLEASMHMSQLIQEPAEAGVTSQKVSFDHVALREKYRQERDKRLRQDGQEQYLEVAVTCDEYLKDPYADPIVRDPVVRETDVFIIGGGFGGLLAAVRLQQAGVSDYVMVERAGDYGGTWYWNRYPGAQCDIESYVYMPLLEEMGYIPTEKYAFGTEILEYSRSIGRKFGLYERTYFQTEVKDLSWDDEAARWRITTDRGDKFSARFVCMSTGPLQRPKLPGIPGITSFKGHSFHTSRWDYSYTGGDQTGNLEGLKDKRVAIIGTGATSIQAVPHLAAYAQELYVIQRTPISVGFRGNKPTDPEWAKSLQPGWQQARMDNFNAITHGMPVDVDLVQDSWTKIFGEIGVFLGSDGSRAQMVDFQLMEQIRARVDQEVKDPATAESLKPYYNIMCKRPGFHDSYLPSFNKPNVTLVDTQGAGVERITEKGLVVNGREYEVDCLIYATGFEYQTKLSRRNGYEIHGRNGQPLSDKWKDGLSTLWGYHIRDFPNCFILGNGQSAVTPNFTHMLNEAGKHVAYVVKHCLDERVDVFEPTAEAEQAWVDHVMSFAGIKQQYDRECTPSYYNNEGQVNDVALTRNNFYPGGAVAFINILREWREKGDFAQFQQRKR
proteinPseudomonas sp. HI-70T2HVF7—–—monomerMolecule count 169.13 kDa

Experimental Curves

CurvePoints / columnsq rangeUncertainty qualityNegative-intensity pointsSource file
1480[3]0.022197–0.313456 1/AHas uncertainty columnMissing 00sasbdb/entries/v5/sasdbv5/source/SASDBV5.dat
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2. Measurements Reported by SASBDB Reported Results

MetricMethodValueUncertaintyUnit
dmaxP(r)8.7—Å
i0Guinier1937.0——
i0P(r)1922.0——
mwExperimental69.13—kDa
mwGuinier I(0)72.1—kDa
porod_volumePorod120.0—ų
rgGuinier2.658—Å
rgP(r)2.622—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 Tris 2 mM TCEP 5 mM NADP+Buffer concentration—
pH8.0Additives—
Buffer description—
Purity measurement method—Extinction coefficient—
Absorbance—Scattering contrast—
Specific volume / dry volume— / —Mixture / deuteration— / —

Acquisition Conditions and Instrument

Measurement date2012-10-02Storage / 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 range0.222 – 3.135Sample 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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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
codeSASDBV5
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_nameCyclopentadecanone 1,2-monooxygenase
experiment.sample.molecule[0].short_namenull
experiment.sample.molecule[0].sequenceGSLEASMHMSQLIQEPAEAGVTSQKVSFDHVALREKYRQERDKRLRQDGQEQYLEVAVTCDEYLKDPYADPIVRDPVVRETDVFIIGGGFGGLLAAVRLQQAGVSDYVMVERAGDYGGTWYWNRYPGAQCDIESYVYMPLLEEMGYIPTEKYAFGTEILEYSRSIGRKFGLYERTYFQTEVKDLSWDDEAARWRITTDRGDKFSARFVCMSTGPLQRPKLPGIPGITSFKGHSFHTSRWDYSYTGGDQTGNLEGLKDKRVAIIGTGATSIQAVPHLAAYAQELYVIQRTPISVGFRGNKPTDPEWAKSLQPGWQQARMDNFNAITHGMPVDVDLVQDSWTKIFGEIGVFLGSDGSRAQMVDFQLMEQIRARVDQEVKDPATAESLKPYYNIMCKRPGFHDSYLPSFNKPNVTLVDTQGAGVERITEKGLVVNGREYEVDCLIYATGFEYQTKLSRRNGYEIHGRNGQPLSDKWKDGLSTLWGYHIRDFPNCFILGNGQSAVTPNFTHMLNEAGKHVAYVVKHCLDERVDVFEPTAEAEQAWVDHVMSFAGIKQQYDRECTPSYYNNEGQVNDVALTRNNFYPGGAVAFINILREWREKGDFAQFQQRKR
experiment.sample.molecule[0].organismPseudomonas sp. HI-70
experiment.sample.molecule[0].uniprot_codeT2HVF7
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_sequenceMSQLIQEPAEAGVTSQKVSFDHVALREKYRQERDKRLRQDGQEQYLEVAVTCDEYLKDPY ADPIVRDPVVRETDVFIIGGGFGGLLAAVRLQQAGVSDYVMVERAGDYGGTWYWNRYPGA QCDIESYVYMPLLEEMGYIPTEKYAFGTEILEYSRSIGRKFGLYERTYFQTEVKDLSWDD EAARWRITTDRGDKFSARFVCMSTGPLQRPKLPGIPGITSFKGHSFHTSRWDYSYTGGDQ TGNLEGLKDKRVAIIGTGATSIQAVPHLAAYAQELYVIQRTPISVGFRGNKPTDPEWAKS LQPGWQQARMDNFNAITHGMPVDVDLVQDSWTKIFGEIGVFLGSDGSRAQMVDFQLMEQI RARVDQEVKDPATAESLKPYYNIMCKRPGFHDSYLPSFNKPNVTLVDTQGAGVERITEKG LVVNGREYEVDCLIYATGFEYQTKLSRRNGYEIHGRNGQPLSDKWKDGLSTLWGYHIRDF PNCFILGNGQSAVTPNFTHMLNEAGKHVAYVVKHCLDERVDVFEPTAEAEQAWVDHVMSF AGIKQQYDRECTPSYYNNEGQVNDVALTRNNFYPGGAVAFINILREWREKGDFAQFQQRK R
experiment.sample.molecule[0].mw69.13
experiment.sample.molecule[0].total_mw68.313
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 2 mM TCEP 5 mM NADP+
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.nameCyclopentadecanone monooxygenase, NADP+, wild-type
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.date2012-10-02
experiment.storage_temperaturenull
experiment.cell_temperature20.0
experiment.exposure_timenull
experiment.number_of_frames4
experiment.wavelength0.1
experiment.sample_detector_distance1.5
experiment.concentration_min2.25
experiment.concentration_max9.0
experiment.sample_volumenull
experiment.flow_ratenull
experiment.s_min0.222
experiment.s_max3.135
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_mw69.13
experimental_mw_errornull
guinier_i0_mw72.1
guinier_i0_mw_errornull
porod_mwnull
porod_mw_errornull
pddf_i01922.0
pddf_i0_errornull
guinier_i01937.0
guinier_i0_errornull
pddf_rg2.622
pddf_rg_errornull
guinier_rg2.658
guinier_rg_errornull
pddf_dmax8.7
pddf_dmax_errornull
porod_volume120.0
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_plotSASDBV5_datloglog_img.png
symmetrynull
last_modified2019-12-06T13:07:15.624532+01:00
bragg_peak[]
manifest.json：36 field values
Field pathRaw value
codeSASDBV5
statussuccess
started_at2026-08-11T14:56:55.821570+00:00
finished_at2026-08-11T14:57:03.636620+00:00
source_last_modified2019-12-06T13:07:15.624532+01:00
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View the complete summary.json source
{
  "code": "SASDBV5",
  "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"
  },
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  "experiment": {
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        "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,
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    "sample": {
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          "long_name": "Cyclopentadecanone 1,2-monooxygenase",
          "short_name": null,
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          "organism": "Pseudomonas sp. HI-70",
          "uniprot_code": "T2HVF7",
          "uniprot_range_first": null,
          "uniprot_range_last": null,
          "oligomerization": "monomer",
          "molecular_type": "protein",
          "uniprot_sequence": "MSQLIQEPAEAGVTSQKVSFDHVALREKYRQERDKRLRQDGQEQYLEVAVTCDEYLKDPY\nADPIVRDPVVRETDVFIIGGGFGGLLAAVRLQQAGVSDYVMVERAGDYGGTWYWNRYPGA\nQCDIESYVYMPLLEEMGYIPTEKYAFGTEILEYSRSIGRKFGLYERTYFQTEVKDLSWDD\nEAARWRITTDRGDKFSARFVCMSTGPLQRPKLPGIPGITSFKGHSFHTSRWDYSYTGGDQ\nTGNLEGLKDKRVAIIGTGATSIQAVPHLAAYAQELYVIQRTPISVGFRGNKPTDPEWAKS\nLQPGWQQARMDNFNAITHGMPVDVDLVQDSWTKIFGEIGVFLGSDGSRAQMVDFQLMEQI\nRARVDQEVKDPATAESLKPYYNIMCKRPGFHDSYLPSFNKPNVTLVDTQGAGVERITEKG\nLVVNGREYEVDCLIYATGFEYQTKLSRRNGYEIHGRNGQPLSDKWKDGLSTLWGYHIRDF\nPNCFILGNGQSAVTPNFTHMLNEAGKHVAYVVKHCLDERVDVFEPTAEAEQAWVDHVMSF\nAGIKQQYDRECTPSYYNNEGQVNDVALTRNNFYPGGAVAFINILREWREKGDFAQFQQRK\nR",
          "mw": 69.13,
          "total_mw": 68.313,
          "number_molecules": 1,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
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        "concentration_unit": null,
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        "pka": null,
        "ph": 8.0,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Cyclopentadecanone monooxygenase, NADP+, wild-type",
      "ext_coefficient": null,
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    },
    "contributor": [
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        "affiliation": [
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View the complete manifest.json source
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