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{
"code": "SASDE65",
"status": "Published",
"type_of_curve": "SEC-SAS",
"angular_unit": "1/A",
"project": {
"title": "Size-exclusion chromatography small-angle X-ray scattering of water soluble proteins on a laboratory instrument.",
"publication": {
"title": "Size-exclusion chromatography small-angle X-ray scattering of water soluble proteins on a laboratory instrument.",
"author_list": "Bucciarelli S, Midtgaard SR, Nors Pedersen M, Skou S, Arleth L, Vestergaard B",
"journal": "J Appl Crystallogr",
"doi": "10.1107/S1600576718014462",
"pmid": "30546289",
"published_date": "2018 Dec 1"
},
"status": "released",
"submitted_date": "2018-09-29",
"released_date": "2018-11-11"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDE65.d",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDE65.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE65_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE65_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDE65_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDE65_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDE65.sascif",
"experiment": {
"instrument": {
"detector": {
"type": "pixel counting",
"name": "Pilatus3 R 300K",
"resolution": 172.0
},
"name": "University of Copenhagen, Department of Drug Design and Pharmacology",
"city": "Copenhagen",
"country": "Denmark",
"beamline_name": "Xenocs BioXolver L with MetalJet",
"beam_geometry": null,
"type_of_source": "X-ray in house",
"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": "Bovine serum albumin",
"short_name": "BSA",
"sequence": "DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHA\r\nGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPN\r\nTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPK\r\nIETMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKV\r\nHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPEN\r\nLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECC\r\nAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTP\r\nTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESL\r\nVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATE\r\nEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA",
"organism": "Bos taurus",
"uniprot_code": "P02769",
"uniprot_range_first": 25,
"uniprot_range_last": 607,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MKWVTFISLLLLFSSAYSRGVFRRDTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPF\nDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEP\nERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYY\nANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVA\nRLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKE\nCCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRR\nHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEK\nLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLIL\nNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLP\nDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVV\nSTQTALA",
"mw": 66.432,
"total_mw": 66.432,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "PBS",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.4,
"deuteration": null
},
"purity_method": null,
"name": "Bovine serum albumin monomer from in-house SEC-SAXS",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Copenhagen, Denmark",
"full_name": "University of Copenhagen",
"webpage": "http://www.ku.dk/"
}
],
"contributor_name": "Saskia",
"contributor_surname": "Bucciarelli",
"orcid": "https://orcid.org/0000-0001-7612-223X"
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2018-01-23",
"storage_temperature": null,
"cell_temperature": 23.0,
"exposure_time": 30.0,
"number_of_frames": 12,
"wavelength": 0.134,
"sample_detector_distance": 0.654,
"concentration_min": null,
"concentration_max": 3.8,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.111,
"s_max": 5.022,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE65_fit1_model1_img.png",
"software": "PDB (Protein Data Bank)",
"pdb_link": [
{
"pdb_code": "4f5s",
"ext_code": "4F5S",
"ext_type": "pdb",
"difference_with_model": "identical"
}
],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDE65_fit1_model1.pdb",
"model_mw": 66.44,
"bead_radius": null,
"log": null,
"symmetry": "C1",
"comment": null,
"user": 365
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/4f5s_BSAmonomer00_fit_img.png",
"software": "CRYSOL",
"chi_square_value": 1.076,
"p_value": 0.428263,
"fit_residual_plot": "4f5s_BSAmonomer00_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDE65_fit1.fit",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/4f5s_BSAmonomer00.log",
"software_version": null,
"description": ""
},
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDE65_fit2_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/SASDE65_fit2_model1.pdb",
"model_mw": 53.492,
"bead_radius": 3.0,
"log": "https://www.sasbdb.org/media/log_files/damsel_3Chn1cP.log",
"symmetry": "P1",
"comment": null,
"user": 365
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/BSA8mgml_1_fit_img.png",
"software": "DAMMIF",
"chi_square_value": 0.959,
"p_value": 0.181967,
"fit_residual_plot": "BSA8mgml_1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDE65_fit2.fir",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/BSA8mgml_1.log",
"software_version": null,
"description": ""
}
],
"estimated_volume_method": null,
"pddf_software": "BayesApp",
"pddf_software_version": null,
"i0_calibration_standard": null,
"description": "The BSA sample (500 microlitres at 7.6 mg/ml) was injected onto a GE Healthcare S200 Increase 10/300 (24 ml) column at a flow rate of 0.1 ml/min 23°C. A total of 250 x 30 second SAXS data frames were recorded throughout the BSA elution. After background solvent corrections, SEC-SAXS data frames 208-219, corresponding to monomeric BSA, were scaled, averaged and binned logarithmically to produce the data displayed in this entry. Additional files, including plots of the selected frames and of I(0), HPLC and exposure cell UV traces and Rg vs. time (determined by AUTORG) are included in the additional files of the full entry zip archive.",
"experiment_description": "SAXS data from solutions of Bovine serum albumin monomer from in-house SEC-SAXS in PBS, pH 7.4 were collected on a Xenocs BioXolver L instrument at the Copenhagen University, Department of Drug Design and Pharmacology (Copenhagen, Denmark) using a 20Hz Pilatus 300K detector at a sample-detector distance of 0.7 m and at a wavelength of λ = 0.134 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle).",
"tags": [],
"intensity_unit": "arbitrary",
"experimental_mw": 65.0,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 65.0,
"porod_mw_error": null,
"pddf_i0": 5.776828,
"pddf_i0_error": null,
"guinier_i0": 0.465,
"guinier_i0_error": 0.00323,
"pddf_rg": 2.75,
"pddf_rg_error": null,
"guinier_rg": 2.827,
"guinier_rg_error": 0.03,
"pddf_dmax": 9.24,
"pddf_dmax_error": null,
"porod_volume": 92.0,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 5,
"guinier_point_last": 23,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDE65_datloglog_img.png",
"symmetry": null,
"last_modified": "2019-12-06T13:07:15.624532+01:00",
"bragg_peak": []
}
