SASDBY2

Inorganic pyrophosphatase (PPase) from E. coli

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

The models displayed above are, from top to bottom: 1) An individual DAMMIN dummy atom model; 2) SASREF rigid body model with the associated CRYSOL30 fit to the data and; 3) The PPase crystal structure fit to the data (derived from Protein data bank entry 2AUU). All of the individual DAMMIN models, associated fits and averaging can be found in the zip archive for this entry.

▼

1. Samples, Components and Experimental Conditions Sample & Experiment

Sample 1 · Inorganic pyrophosphatase (PPase) from E. coli

Concentration1.4 – 10.8 mg/mlBuffer / pH50 mM Tris 10 mM NaCl / 7.5
Experimental temperature10.0 Facility / beamlinePETRA III / EMBL P12
Wavelength0.12 nmExposure0.05 s × 20

Molecular Components

ComponentType / organismUniProt and ConstructOligomeric StateMolecular weight
Inorganic pyrophosphatase (PPase) from E. coli
View sequence
SLLNVPAGKDLPEDIYVVIEIPANADPIKYEIDKESGALFVDRFMSTAMFYPCNYGYINHTLSLDGDPVDVLVPTPYPLQPGSVTRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDHIKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAKNK
proteinEscherichia coliP0A7A9—–—hexamerMolecule count 619.56 kDa

Experimental Curves

CurvePoints / columnsq rangeUncertainty qualityNegative-intensity pointsSource file
11707[3]0.0793903–4.56746 1/nmHas uncertainty columnMissing 00sasbdb/entries/y2/sasdby2/source/SASDBY2.dat
▼

2. Measurements Reported by SASBDB Reported Results

MetricMethodValueUncertaintyUnit
dmaxP(r)9.0—nm
i0Guinier6795.07.5—
i0P(r)6803.05.7—
mwExperimental130.0—kDa
mwGuinier I(0)130.0—kDa
mwPorod104.0—kDa
porod_volumePorod166.0—nm³
rgGuinier3.030.01nm
rgP(r)3.00.02nm

These values are reported by SASBDB; SAXSdb did not recalculate them from the experimental curve.

▼

3. Source Fits and Models Source Fits & Models

▶

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 name50 mM Tris 10 mM NaClBuffer concentration50.0 mM
pH7.5Additives10 mM NaCl
Buffer description—
Purity measurement method—Extinction coefficient—
Absorbance—Scattering contrast—
Specific volume / dry volume— / —Mixture / deuteration— / —

Acquisition Conditions and Instrument

Measurement date2013-06-30Storage / measurement temperature10.0 / 10.0
Exposure time0.05Frames20
Wavelength0.12Sample-to-detector distance3.1
SourceX-ray synchrotronDetectorPilatus 2M
Facility / beamlinePETRA III / EMBL P12 · DESY; Hamburg, Germany
q range0.079 – 4.567Sample 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

CategoryFileStatusSizeChecksumDownload and View
curvesasbdb/entries/y2/sasdby2/source/SASDBY2.datdownloaded7875531a3de03e03f2e2699e62928f892f2663fe982b34de935df4ab9fd49f4fcf638DownloadView source fileSource site
full_entry_zipsasbdb/entries/y2/sasdby2/source/SASDBY2.zipdownloaded2103314e440b676248309f6f5d5ca6fcb95b5e90b370dbaa1807ad6fcc5223a71fae27fDownloadView source fileSource site
pddfsasbdb/entries/y2/sasdby2/source/SASDBY2.outdownloaded137455f5ea17095f397fb1616535e98b6cfb4d4fa5b9bdd03734341c342d2c6cb5c3f1DownloadView source fileSource site
sascifsasbdb/entries/y2/sasdby2/source/SASDBY2.sascifdownloaded238239605246d68301c3836a884a1eb826036d697593453dc8ab1115183bf44b0b7b19eDownloadView source fileSource site
summarysasbdb/entries/y2/sasdby2/source/summary.jsondownloaded10254811871d5bfd81aabcf308102c0ea84e69a8546b3874be1d6bf8123d1869c4878DownloadView source fileSource site
curve:source record
{
  "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.dat",
  "role": "curve",
  "sha256": "31a3de03e03f2e2699e62928f892f2663fe982b34de935df4ab9fd49f4fcf638",
  "size": 78755,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/intensities_files/SASDBY2.dat"
}
full_entry_zip:source record and ZIP contents (11 items)
{
  "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.zip",
  "role": "full_entry_zip",
  "sha256": "e440b676248309f6f5d5ca6fcb95b5e90b370dbaa1807ad6fcc5223a71fae27f",
  "size": 2103314,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/zip_directories/SASDBY2.zip",
  "zip_member_count": 11,
  "zip_members": [
    {
      "crc32": "6ba3685b",
      "name": "SASDBY2/experimental_data/SASDBY2.dat",
      "size": 78755
    },
    {
      "crc32": "71ba8159",
      "name": "SASDBY2/pddf/SASDBY2.out",
      "size": 137455
    },
    {
      "crc32": "735cb4e8",
      "name": "SASDBY2/SASDBY2_fit1.fir",
      "size": 51194
    },
    {
      "crc32": "1624c2e6",
      "name": "SASDBY2/SASDBY2_fit1_model1.pdb",
      "size": 307811
    },
    {
      "crc32": "96c2cdaa",
      "name": "SASDBY2/SASDBY2_fit2.fit",
      "size": 53374
    },
    {
      "crc32": "b4623b5f",
      "name": "SASDBY2/SASDBY2_fit2_model1.pdb",
      "size": 557248
    },
    {
      "crc32": "f87d2d22",
      "name": "SASDBY2/SASDBY2_fit3.fit",
      "size": 53374
    },
    {
      "crc32": "660b42df",
      "name": "SASDBY2/SASDBY2_fit3_model1.pdb",
      "size": 681107
    },
    {
      "crc32": "a64c3f90",
      "name": "SASDBY2/additional_files/E_coli_PPase_DAMMIN_P32.zip",
      "size": 1751114
    },
    {
      "crc32": "8a870064",
      "name": "SASDBY2/additional_files/PPase_all_data_merging_and_GNOM.zip",
      "size": 178635
    },
    {
      "crc32": "ee06d199",
      "name": "SASDBY2/additional_files/README.txt",
      "size": 225
    }
  ],
  "zip_validation": "central_directory_readable"
}
pddf:source record
{
  "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.out",
  "role": "pddf",
  "sha256": "f5ea17095f397fb1616535e98b6cfb4d4fa5b9bdd03734341c342d2c6cb5c3f1",
  "size": 137455,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/p_of_R_files/SASDBY2.out"
}
sascif:source record
{
  "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.sascif",
  "role": "sascif",
  "sha256": "05246d68301c3836a884a1eb826036d697593453dc8ab1115183bf44b0b7b19e",
  "size": 2382396,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/sascif/sascif_files/SASDBY2.sascif"
}
summary:source record
{
  "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/summary.json",
  "sha256": "811871d5bfd81aabcf308102c0ea84e69a8546b3874be1d6bf8123d1869c4878",
  "size": 10254,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/rest-api/entry/summary/SASDBY2/"
}

All source fields (unfiltered)

Every source field is expanded here, including empty values, list members and fields already shown above.

summary.json:205 field values
Field pathRaw value
codeSASDBY2
statusPublished
type_of_curveMerged
angular_unit1/nm
project.titleX-Ray Solution Scattering Study of Four Escherichia coli Enzymes Involved in Stationary-Phase Metabolism.
project.publication.titleX-Ray Solution Scattering Study of Four Escherichia coli Enzymes Involved in Stationary-Phase Metabolism.
project.publication.author_listDadinova LA, Shtykova EV, Konarev PV, Rodina EV, Snalina NE, Vorobyeva NN, Kurilova SA, Nazarova TI, Jeffries CM, Svergun DI
project.publication.journalPLoS One
project.publication.doi10.1371/journal.pone.0156105
project.publication.pmid27227414
project.publication.published_date2016
project.statusreleased
project.submitted_date2015-12-14
project.released_date2016-07-01
pddf_datahttps://www.sasbdb.org/media/p_of_R_files/SASDBY2.out
intensities_datahttps://www.sasbdb.org/media/intensities_files/SASDBY2.dat
intensities_log_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDBY2_dat_img.png
intensities_kratky_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDBY2_kratky_img.png
pddf_plothttps://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDBY2_pofr_img.png
intensities_guinier_plothttps://www.sasbdb.org/media/intensities_files/scattering_plots/SASDBY2_guinier_img.png
sascif_datahttps://www.sasbdb.org/media/sascif/sascif_files/SASDBY2.sascif
experiment.instrument.detector.typenull
experiment.instrument.detector.namePilatus 2M
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_nameInorganic pyrophosphatase (PPase) from E. coli
experiment.sample.molecule[0].short_namePPase
experiment.sample.molecule[0].sequenceSLLNVPAGKDLPED IYVVIEIPANADPI KYEIDKESGALFVD RFMSTAMF YPCNYGYINHTLSL DGDPVDVLVPTPYP LQPGSVTRCRPVGV LKMTDEAG EDAKLVAVPHSKLS KEYDHIKDVNDLPE LLKAQIAHFFEHYK DLEKGKWV KVEGWENAEAAKAE IVASFERAKNK
experiment.sample.molecule[0].organismEscherichia coli
experiment.sample.molecule[0].uniprot_codeP0A7A9
experiment.sample.molecule[0].uniprot_range_firstnull
experiment.sample.molecule[0].uniprot_range_lastnull
experiment.sample.molecule[0].oligomerizationhexamer
experiment.sample.molecule[0].molecular_typeprotein
experiment.sample.molecule[0].uniprot_sequenceMSLLNVPAGKDLPEDIYVVIEIPANADPIKYEIDKESGALFVDRFMSTAMFYPCNYGYIN HTLSLDGDPVDVLVPTPYPLQPGSVIRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDH IKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAKNK
experiment.sample.molecule[0].mw19.56
experiment.sample.molecule[0].total_mw117.36
experiment.sample.molecule[0].number_molecules6
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 10 mM NaCl
experiment.sample.buffer.concentration_unitmM
experiment.sample.buffer.commentnull
experiment.sample.buffer.additive10 mM NaCl
experiment.sample.buffer.concentration50.0
experiment.sample.buffer.pkanull
experiment.sample.buffer.ph7.5
experiment.sample.buffer.deuterationnull
experiment.sample.purity_methodnull
experiment.sample.nameInorganic pyrophosphatase (PPase) from E. coli
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_nameMSU
experiment.contributor[0].affiliation[0].addressMoscow, Russia
experiment.contributor[0].affiliation[0].full_nameLomonosov Moscow State University
experiment.contributor[0].affiliation[0].webpagehttp://www.msu.ru
experiment.contributor[0].contributor_nameLiubov
experiment.contributor[0].contributor_surnameDadinova
experiment.contributor[0].orcidnull
experiment.concentration_methodnull
experiment.concentration_unitmg/ml
experiment.date2013-06-30
experiment.storage_temperature10.0
experiment.cell_temperature10.0
experiment.exposure_time0.05
experiment.number_of_frames20
experiment.wavelength0.12
experiment.sample_detector_distance3.1
experiment.concentration_min1.4
experiment.concentration_max10.8
experiment.sample_volumenull
experiment.flow_ratenull
experiment.s_min0.079
experiment.s_max4.567
experiment.total_exposure_timenull
experiment.seccolumnnull
fits[0].models[0].model_plothttps://www.sasbdb.org/media/pdb_file/images/SASDBY2_fit1_model1_img.png
fits[0].models[0].softwareDAMMIN
fits[0].models[0].pdb_link[]
fits[0].models[0].model_titlenull
fits[0].models[0].type_of_modeldummy
fits[0].models[0].software_version
fits[0].models[0].model_datahttps://www.sasbdb.org/media/pdb_file/SASDBY2_fit1_model1.pdb
fits[0].models[0].model_mw92.2
fits[0].models[0].bead_radius2.0
fits[0].models[0].lognull
fits[0].models[0].symmetryP32
fits[0].models[0].comment
fits[0].models[0].user94
fits[0].fit_unit1/A
fits[0].fit_plothttps://www.sasbdb.org/media/fitting_files/scattering_plots/SASDBY2_fit1_fit_img.png
fits[0].softwarenull
fits[0].chi_square_value1.032
fits[0].p_value0.0
fits[0].fit_residual_plotSASDBY2_fit1_fitresiduals_img.png
fits[0].fit_datahttps://www.sasbdb.org/media/fitting_files/SASDBY2_fit1.fir
fits[0].fit_lognull
fits[0].software_versionnull
fits[0].descriptionnull
fits[1].models[0].model_plothttps://www.sasbdb.org/media/pdb_file/images/SASDBY2_fit2_model1_img.png
fits[1].models[0].softwareSASREF
fits[1].models[0].pdb_link[]
fits[1].models[0].model_titlenull
fits[1].models[0].type_of_modelatomic
fits[1].models[0].software_version
fits[1].models[0].model_datahttps://www.sasbdb.org/media/pdb_file/SASDBY2_fit2_model1.pdb
fits[1].models[0].model_mw117.9
fits[1].models[0].bead_radius1.9
fits[1].models[0].loghttps://www.sasbdb.org/media/log_files/P50h00.log
fits[1].models[0].symmetryP32
fits[1].models[0].comment
fits[1].models[0].user94
fits[1].fit_unit1/A
fits[1].fit_plothttps://www.sasbdb.org/media/fitting_files/scattering_plots/SASDBY2_fit2_fit_img.png
fits[1].softwareCRYSOL
fits[1].chi_square_value1.44
fits[1].p_value0.0
fits[1].fit_residual_plotSASDBY2_fit2_fitresiduals_img.png
fits[1].fit_datahttps://www.sasbdb.org/media/fitting_files/SASDBY2_fit2.fit
fits[1].fit_lognull
fits[1].software_version3.0
fits[1].descriptionnull
fits[2].models[0].model_plothttps://www.sasbdb.org/media/pdb_file/images/SASDBY2_fit3_model1_img.png
fits[2].models[0].softwarePDB (Protein Data Bank)
fits[2].models[0].pdb_link[0].pdb_code2auu
fits[2].models[0].pdb_link[0].ext_code2AUU
fits[2].models[0].pdb_link[0].ext_typepdb
fits[2].models[0].pdb_link[0].difference_with_modelderived
fits[2].models[0].model_titlenull
fits[2].models[0].type_of_modelatomic
fits[2].models[0].software_version
fits[2].models[0].model_datahttps://www.sasbdb.org/media/pdb_file/SASDBY2_fit3_model1.pdb
fits[2].models[0].model_mw117.9
fits[2].models[0].bead_radiusnull
fits[2].models[0].loghttps://www.sasbdb.org/media/log_files/PPase_2AUU00.log
fits[2].models[0].symmetry
fits[2].models[0].comment
fits[2].models[0].user94
fits[2].fit_unit1/A
fits[2].fit_plothttps://www.sasbdb.org/media/fitting_files/scattering_plots/SASDBY2_fit3_fit_img.png
fits[2].softwareCRYSOL
fits[2].chi_square_value5.2
fits[2].p_value0.0
fits[2].fit_residual_plotSASDBY2_fit3_fitresiduals_img.png
fits[2].fit_datahttps://www.sasbdb.org/media/fitting_files/SASDBY2_fit3.fit
fits[2].fit_lognull
fits[2].software_version3.0
fits[2].descriptionnull
estimated_volume_methodnull
pddf_softwareATSAS GNOM
pddf_software_version5
i0_calibration_standardnull
descriptionThe models displayed above are, from top to bottom: 1) An individual DAMMIN dummy atom model; 2) SASREF rigid body model with the associated CRYSOL30 fit to the data and; 3) The PPase crystal structure fit to the data (derived from Protein data bank entry 2AUU). All of the individual DAMMIN models, associated fits and averaging can be found in the zip archive for this entry.
experiment_descriptionSynchrotron SAXS data from solutions of Inorganic pyrophosphatase (PPase) from E. coli in 50 mM Tris, pH 7.5 were collected on the P12 beam line of Petra-III (Hamburg, Germany) using a Pilatus 2M detector (I(s) vs s; s = 4π sin θ/λ, where 2θ is the scattering angle and λ=0.124 nm). Different solute concentrations in the range 2.8-10.90 mg/ml were measured using an exposure time of 1 s (recorded as 20 x 0.050 s frames). The data were normalized to the intensity of the transmitted beam and radially averaged and the scattering from the matched solvent-blank was subtracted. The data presented here are the scattering intensities derived from the low concentration data set (at 2.8 mg/ml) for s < 0.54 nm-1 merged with the high concentration data for s > 0.54 nm-1 (all data across the concentration series are statistically similar for s > 0.54 nm-1, Correlation Map p = 0.11-1.0).
tags[]
intensity_unitnull
experimental_mw130.0
experimental_mw_errornull
guinier_i0_mw130.0
guinier_i0_mw_errornull
porod_mw104.0
porod_mw_errornull
pddf_i06803.0
pddf_i0_error5.7
guinier_i06795.0
guinier_i0_error7.5
pddf_rg3.0
pddf_rg_error0.02
guinier_rg3.03
guinier_rg_error0.01
pddf_dmax9.0
pddf_dmax_errornull
porod_volume166.0
porod_volume_errornull
estimated_volumenull
estimated_volume_errornull
guinier_point_first4
guinier_point_last134
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDBY2_datloglog_img.png
symmetrynull
last_modified2023-06-21T07:56:39.492710+02:00
bragg_peak[]
manifest.json:36 field values
Field pathRaw value
codeSASDBY2
statussuccess
started_at2026-08-11T13:48:58.428491+00:00
finished_at2026-08-11T13:49:16.313828+00:00
source_last_modified2023-06-21T07:56:39.492710+02:00
files[0].statusdownloaded
files[0].urlhttps://www.sasbdb.org/rest-api/entry/summary/SASDBY2/
files[0].path/data/saxsdb/sasbdb/entries/y2/sasdby2/source/summary.json
files[0].size10254
files[0].sha256811871d5bfd81aabcf308102c0ea84e69a8546b3874be1d6bf8123d1869c4878
files[1].statusdownloaded
files[1].urlhttps://www.sasbdb.org/media/intensities_files/SASDBY2.dat
files[1].path/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.dat
files[1].size78755
files[1].sha25631a3de03e03f2e2699e62928f892f2663fe982b34de935df4ab9fd49f4fcf638
files[1].rolecurve
files[2].statusdownloaded
files[2].urlhttps://www.sasbdb.org/media/p_of_R_files/SASDBY2.out
files[2].path/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.out
files[2].size137455
files[2].sha256f5ea17095f397fb1616535e98b6cfb4d4fa5b9bdd03734341c342d2c6cb5c3f1
files[2].rolepddf
files[3].statusdownloaded
files[3].urlhttps://www.sasbdb.org/media/sascif/sascif_files/SASDBY2.sascif
files[3].path/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.sascif
files[3].size2382396
files[3].sha25605246d68301c3836a884a1eb826036d697593453dc8ab1115183bf44b0b7b19e
files[3].rolesascif
files[4].statusdownloaded
files[4].urlhttps://www.sasbdb.org/media/zip_directories/SASDBY2.zip
files[4].path/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.zip
files[4].size2103314
files[4].sha256e440b676248309f6f5d5ca6fcb95b5e90b370dbaa1807ad6fcc5223a71fae27f
files[4].rolefull_entry_zip
files[4].zip_member_count11
files[4].zip_validationcentral_directory_readable
View the complete summary.json source
{
  "code": "SASDBY2",
  "status": "Published",
  "type_of_curve": "Merged",
  "angular_unit": "1/nm",
  "project": {
    "title": "X-Ray Solution Scattering Study of Four Escherichia coli Enzymes Involved in Stationary-Phase Metabolism.",
    "publication": {
      "title": "X-Ray Solution Scattering Study of Four Escherichia coli Enzymes Involved in Stationary-Phase Metabolism.",
      "author_list": "Dadinova LA, Shtykova EV, Konarev PV, Rodina EV, Snalina NE, Vorobyeva NN, Kurilova SA, Nazarova TI, Jeffries CM, Svergun DI",
      "journal": "PLoS One",
      "doi": "10.1371/journal.pone.0156105",
      "pmid": "27227414",
      "published_date": "2016"
    },
    "status": "released",
    "submitted_date": "2015-12-14",
    "released_date": "2016-07-01"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDBY2.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDBY2.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDBY2_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDBY2_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDBY2_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDBY2_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDBY2.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": null,
        "name": "Pilatus 2M",
        "resolution": null
      },
      "name": "PETRA III",
      "city": "DESY; Hamburg",
      "country": "Germany",
      "beamline_name": "EMBL P12",
      "beam_geometry": null,
      "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,
      "beam_profile_al": null
    },
    "sample": {
      "molecule": [
        {
          "long_name": "Inorganic pyrophosphatase (PPase) from E. coli",
          "short_name": "PPase",
          "sequence": "SLLNVPAGKDLPED\r\nIYVVIEIPANADPI\r\nKYEIDKESGALFVD\r\nRFMSTAMF\r\nYPCNYGYINHTLSL\r\nDGDPVDVLVPTPYP\r\nLQPGSVTRCRPVGV\r\nLKMTDEAG\r\nEDAKLVAVPHSKLS\r\nKEYDHIKDVNDLPE\r\nLLKAQIAHFFEHYK\r\nDLEKGKWV\r\nKVEGWENAEAAKAE\r\nIVASFERAKNK\r\n",
          "organism": "Escherichia coli",
          "uniprot_code": "P0A7A9",
          "uniprot_range_first": null,
          "uniprot_range_last": null,
          "oligomerization": "hexamer",
          "molecular_type": "protein",
          "uniprot_sequence": "MSLLNVPAGKDLPEDIYVVIEIPANADPIKYEIDKESGALFVDRFMSTAMFYPCNYGYIN\nHTLSLDGDPVDVLVPTPYPLQPGSVIRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDH\nIKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAKNK",
          "mw": 19.56,
          "total_mw": 117.36,
          "number_molecules": 6,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
      ],
      "buffer": {
        "name": "50 mM Tris 10 mM NaCl",
        "concentration_unit": "mM",
        "comment": null,
        "additive": "10 mM NaCl",
        "concentration": 50.0,
        "pka": null,
        "ph": 7.5,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Inorganic pyrophosphatase (PPase) from E. coli",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": "MSU",
            "address": "Moscow, Russia",
            "full_name": "Lomonosov Moscow State University",
            "webpage": "http://www.msu.ru"
          }
        ],
        "contributor_name": "Liubov",
        "contributor_surname": "Dadinova",
        "orcid": null
      }
    ],
    "concentration_method": null,
    "concentration_unit": "mg/ml",
    "date": "2013-06-30",
    "storage_temperature": 10.0,
    "cell_temperature": 10.0,
    "exposure_time": 0.05,
    "number_of_frames": 20,
    "wavelength": 0.12,
    "sample_detector_distance": 3.1,
    "concentration_min": 1.4,
    "concentration_max": 10.8,
    "sample_volume": null,
    "flow_rate": null,
    "s_min": 0.079,
    "s_max": 4.567,
    "total_exposure_time": null,
    "seccolumn": null
  },
  "fits": [
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDBY2_fit1_model1_img.png",
          "software": "DAMMIN",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "dummy",
          "software_version": "",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDBY2_fit1_model1.pdb",
          "model_mw": 92.2,
          "bead_radius": 2.0,
          "log": null,
          "symmetry": "P32",
          "comment": "",
          "user": 94
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDBY2_fit1_fit_img.png",
      "software": null,
      "chi_square_value": 1.032,
      "p_value": 0.0,
      "fit_residual_plot": "SASDBY2_fit1_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDBY2_fit1.fir",
      "fit_log": null,
      "software_version": null,
      "description": null
    },
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDBY2_fit2_model1_img.png",
          "software": "SASREF",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDBY2_fit2_model1.pdb",
          "model_mw": 117.9,
          "bead_radius": 1.9,
          "log": "https://www.sasbdb.org/media/log_files/P50h00.log",
          "symmetry": "P32",
          "comment": "",
          "user": 94
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDBY2_fit2_fit_img.png",
      "software": "CRYSOL",
      "chi_square_value": 1.44,
      "p_value": 0.0,
      "fit_residual_plot": "SASDBY2_fit2_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDBY2_fit2.fit",
      "fit_log": null,
      "software_version": "3.0",
      "description": null
    },
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDBY2_fit3_model1_img.png",
          "software": "PDB (Protein Data Bank)",
          "pdb_link": [
            {
              "pdb_code": "2auu",
              "ext_code": "2AUU",
              "ext_type": "pdb",
              "difference_with_model": "derived"
            }
          ],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDBY2_fit3_model1.pdb",
          "model_mw": 117.9,
          "bead_radius": null,
          "log": "https://www.sasbdb.org/media/log_files/PPase_2AUU00.log",
          "symmetry": "",
          "comment": "",
          "user": 94
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDBY2_fit3_fit_img.png",
      "software": "CRYSOL",
      "chi_square_value": 5.2,
      "p_value": 0.0,
      "fit_residual_plot": "SASDBY2_fit3_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDBY2_fit3.fit",
      "fit_log": null,
      "software_version": "3.0",
      "description": null
    }
  ],
  "estimated_volume_method": null,
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": "5",
  "i0_calibration_standard": null,
  "description": "The models displayed above are, from top to bottom: 1) An individual DAMMIN dummy atom model; 2) SASREF rigid body model with the associated CRYSOL30 fit to the data and; 3) The PPase crystal structure fit to the data (derived from Protein data bank entry 2AUU). All of the individual DAMMIN models, associated fits and averaging can be found in the zip archive for this entry.",
  "experiment_description": "Synchrotron SAXS data from solutions of Inorganic pyrophosphatase (PPase) from E. coli in 50 mM Tris, pH 7.5 were collected on the P12 beam line of Petra-III (Hamburg, Germany) using a Pilatus 2M detector (I(s) vs s; s = 4π sin θ/λ, where 2θ is the scattering angle and λ=0.124 nm). Different solute concentrations in the range 2.8-10.90 mg/ml were measured using an exposure time of 1 s (recorded as 20 x 0.050 s frames). The data were normalized to the intensity of the transmitted beam and radially averaged and the scattering from the matched solvent-blank was subtracted. The data presented here are the scattering intensities derived from the low concentration data set (at 2.8 mg/ml) for s < 0.54 nm-1 merged with the high concentration data for s > 0.54 nm-1 (all data across the concentration series are statistically similar for s > 0.54 nm-1, Correlation Map p = 0.11-1.0).",
  "tags": [],
  "intensity_unit": null,
  "experimental_mw": 130.0,
  "experimental_mw_error": null,
  "guinier_i0_mw": 130.0,
  "guinier_i0_mw_error": null,
  "porod_mw": 104.0,
  "porod_mw_error": null,
  "pddf_i0": 6803.0,
  "pddf_i0_error": 5.7,
  "guinier_i0": 6795.0,
  "guinier_i0_error": 7.5,
  "pddf_rg": 3.0,
  "pddf_rg_error": 0.02,
  "guinier_rg": 3.03,
  "guinier_rg_error": 0.01,
  "pddf_dmax": 9.0,
  "pddf_dmax_error": null,
  "porod_volume": 166.0,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 4,
  "guinier_point_last": 134,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDBY2_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2023-06-21T07:56:39.492710+02:00",
  "bragg_peak": []
}
View the complete manifest.json source
{
  "code": "SASDBY2",
  "status": "success",
  "started_at": "2026-08-11T13:48:58.428491+00:00",
  "finished_at": "2026-08-11T13:49:16.313828+00:00",
  "source_last_modified": "2023-06-21T07:56:39.492710+02:00",
  "files": [
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/rest-api/entry/summary/SASDBY2/",
      "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/summary.json",
      "size": 10254,
      "sha256": "811871d5bfd81aabcf308102c0ea84e69a8546b3874be1d6bf8123d1869c4878"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/intensities_files/SASDBY2.dat",
      "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.dat",
      "size": 78755,
      "sha256": "31a3de03e03f2e2699e62928f892f2663fe982b34de935df4ab9fd49f4fcf638",
      "role": "curve"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/p_of_R_files/SASDBY2.out",
      "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.out",
      "size": 137455,
      "sha256": "f5ea17095f397fb1616535e98b6cfb4d4fa5b9bdd03734341c342d2c6cb5c3f1",
      "role": "pddf"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/sascif/sascif_files/SASDBY2.sascif",
      "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.sascif",
      "size": 2382396,
      "sha256": "05246d68301c3836a884a1eb826036d697593453dc8ab1115183bf44b0b7b19e",
      "role": "sascif"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/zip_directories/SASDBY2.zip",
      "path": "/data/saxsdb/sasbdb/entries/y2/sasdby2/source/SASDBY2.zip",
      "size": 2103314,
      "sha256": "e440b676248309f6f5d5ca6fcb95b5e90b370dbaa1807ad6fcc5223a71fae27f",
      "role": "full_entry_zip",
      "zip_member_count": 11,
      "zip_validation": "central_directory_readable"
    }
  ]
}