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{
"code": "SASDFW7",
"status": "Published",
"type_of_curve": "SEC-SAS",
"angular_unit": "1/A",
"project": {
"title": "The Methionine-Rich Loop of Multicopper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis",
"publication": {
"title": "The Methionine-Rich Loop of Multicopper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis",
"author_list": "Borges P, Brissos V, Hernandez G, Masgrau L, Lucas M, Monza E, Frazão C, Cordeiro T, Martins L",
"journal": "ACS Catalysis",
"doi": "10.1021/acscatal.0c01623",
"pmid": null,
"published_date": "2020 Jun 02"
},
"status": "released",
"submitted_date": "2019-06-18",
"released_date": "2020-06-09"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDFW7.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDFW7.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFW7_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFW7_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDFW7_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDFW7_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDFW7.sascif",
"experiment": {
"instrument": {
"detector": {
"type": "Dectris",
"name": "Pilatus 1M",
"resolution": 172.0
},
"name": "ESRF",
"city": "Grenoble",
"country": "France",
"beamline_name": "BM29",
"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,
"beam_profile_al": null
},
"sample": {
"molecule": [
{
"long_name": "Aquifex aeolicus McoA metaloxidase ∆328-352 (MCoA∆328-352)",
"short_name": "MCoA∆328-352",
"sequence": ">MCoA∆328-352\r\nMLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFS\r\nADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRT\r\nGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWG\r\nDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEV\r\nNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMMGMADNSEFEVMEFRVTKDSAYDK\r\nSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDV\r\nVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYN\r\nEHQIYLLHCHILEHHDEGMMVNYRVNA",
"organism": "Aquifex aeolicus",
"uniprot_code": "O67206",
"uniprot_range_first": 44,
"uniprot_range_last": 527,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MDRRKFIKTSLFSALGFSVGGLSLLSCGGGGTTGSSSGQGSGTLSKQSLNIPGYFLFPDG\nQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFSADFVNNSGEDSIIHWH\nGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIII\nEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPY\nMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEILVAPGER\nIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGMGMERGMGMGNGMNMDMGMADNSE\nFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYAN\nPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDT\nVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA",
"mw": 52.933,
"total_mw": 52.933,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "50 mM Tris-HCl, 150 mM NaCl, 2 mM TCEP",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.5,
"deuteration": null
},
"purity_method": null,
"name": "Aquifex aeolicus McoA metaloxidase deletion mutant ∆328-352 (MCoA∆328-352)",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Oeiras, Portugal",
"full_name": "Instituto de Tecnologia Química e Biológica António Xavier, Universidade de Lisboa",
"webpage": "http://www.itqb.unl.pt"
}
],
"contributor_name": "Tiago",
"contributor_surname": "Cordeiro",
"orcid": "https://orcid.org/0000-0003-2663-3220"
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2017-07-13",
"storage_temperature": 20.0,
"cell_temperature": 20.0,
"exposure_time": 1.0,
"number_of_frames": 3000,
"wavelength": 0.09919,
"sample_detector_distance": 2.867,
"concentration_min": null,
"concentration_max": 12.0,
"sample_volume": 45.0,
"flow_rate": 0.1,
"s_min": 0.039,
"s_max": 4.924,
"total_exposure_time": null,
"seccolumn": 14
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDFW7_fit1_model1_img.png",
"software": "DAMFILT",
"pdb_link": [],
"model_title": null,
"type_of_model": "dummy",
"software_version": "5.0",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDFW7_fit1_model1.pdb",
"model_mw": 36.429,
"bead_radius": 2.25,
"log": null,
"symmetry": null,
"comment": null,
"user": 404
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDFW7_fit1_fixed_fit_img.png",
"software": "DAMMIN",
"chi_square_value": 0.993,
"p_value": 0.162226,
"fit_residual_plot": "SASDFW7_fit1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDFW7_fit1.fir",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/loop4.log",
"software_version": null,
"description": ""
},
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDFW7_fit2_model1_img.png",
"software": "Other",
"pdb_link": [],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDFW7_fit2_model1.pdb",
"model_mw": 53.16,
"bead_radius": null,
"log": null,
"symmetry": null,
"comment": null,
"user": 404
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDFW7_fit2_fixed_fit_img.png",
"software": "CRYSOL",
"chi_square_value": 1.05,
"p_value": 0.101231,
"fit_residual_plot": "SASDFW7_fit2_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDFW7_fit2.fit",
"fit_log": null,
"software_version": null,
"description": ""
}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "5.0",
"i0_calibration_standard": null,
"description": null,
"experiment_description": "Synchrotron SAXS data from solutions of MCoA∆328-352 in 50 mM Tris-HCl, 150 mM NaCl, 2 mM TCEP, pH 7.5 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Pilatus 1M detector at a sample-detector distance of 2.9 m and at a wavelength of λ = 0.09919 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). In-line size-exclusion chromatography (SEC) SAS was employed. The SEC parameters were as follows: A 45.00 μl sample at 12 mg/ml was injected at a 0.10 ml/min flow rate onto a GE Superdex 200 Increase 3.2/300 column at 20°C. 3000 successive 1 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 from the sample elution peak frames.",
"tags": [],
"intensity_unit": "arbitrary",
"experimental_mw": 48.3,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 48.1,
"porod_mw_error": null,
"pddf_i0": 22.69,
"pddf_i0_error": null,
"guinier_i0": 22.71,
"guinier_i0_error": 0.013,
"pddf_rg": 2.24,
"pddf_rg_error": null,
"guinier_rg": 2.26,
"guinier_rg_error": 0.01,
"pddf_dmax": 6.88,
"pddf_dmax_error": null,
"porod_volume": 77.4,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 20,
"guinier_point_last": 114,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDFW7_datloglog_img.png",
"symmetry": null,
"last_modified": "2020-06-09T12:08:00.526110+02:00",
"bragg_peak": []
}
