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{
"code": "SASDW23",
"status": "Published",
"type_of_curve": "SEC-SAS",
"angular_unit": "1/A",
"project": {
"title": "Cryo-EM led analysis of open and closed conformations of Chagas vaccine candidate TcPOP.",
"publication": {
"title": "Cryo-EM led analysis of open and closed conformations of Chagas vaccine candidate TcPOP.",
"author_list": "Batra S, Olmo F, Ragan TJ, Kaplan M, Calvaresi V, Frank AM, Lancey C, Assadipapari M, Ying C, Struwe WB, Hesketh EL, Kelly JM, Barfod L, Campeotto I",
"journal": "Nat Commun",
"doi": "10.1038/s41467-025-62068-3",
"pmid": "40764299",
"published_date": "2025 Aug 5"
},
"status": "released",
"submitted_date": "2024-12-07",
"released_date": "2025-08-07"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDW23.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDW23.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDW23_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDW23_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDW23_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDW23_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDW23.sascif",
"experiment": {
"instrument": {
"detector": {
"type": null,
"name": "Eiger 4M",
"resolution": 75.0
},
"name": "Diamond Light Source",
"city": "Didcot",
"country": "UK",
"beamline_name": "B21",
"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": "Prolyl endopeptidase",
"short_name": null,
"sequence": "MRSVYPLARRSMAAYTMHNMTVPEPYDYLEDPENPETKTFVNEQNAFFEEYFASEAELRKKIFESISNSQ\r\nDYPRTSNPSYINGHYYYYHNSGLQNQSVLMRAMSLTDTAPSIFLDPNSMSSDGTTALKATAWSEDESMLA\r\nYSLSDKGSDWQRIHVRRADTVEDTSDVIEWAKFTAIAWWHNLGFFYTRYPALQGDVDKGAETDAAQDAFI\r\nCFHRIGRPQDEDVVILSVPEHPQWNMGASVSDCHSYVIVVLFDGCEPHNLVWVAELPSVEKGLGSEPLVF\r\nKKLVNEFAGRYTYLGNEGSTFYFVTTRDAPRKKIVSIDIHTGQETVIVEQQRSVLSQAALVKKTLLLAYL\r\nEDVKDVFYYCRLEDPTLNAIPLPIGTITSFFSDRKKDFVSFKITSFLLPGRSFFLDINDPQSSLRVFKDD\r\nTVEGLLVDDFVTEQTFYNSSDGVRIPMFIVYRKGSVSSESPLLLYGYGGFNIPLTPAFSSSRMVFLRDLG\r\nGVLAVLNIRGGGEYGEEWHDAGRRACKQNCFTDFIEGAKFLHRQGYGSPQTTAIMGGSNGGLLVAAVANQ\r\nAPELFRCVVCRVGVLDMYKFHKFTIGHAWKSDYGDPEKEEDFRVLQQYSPLHNIKSGIKYPAILVVTGDH\r\nDDRVVPLHSLKYVATLQHMNPNEGGPFLARIEVAAGHGAGKPTSKILREAGDIYTFIAKNINASWKE",
"organism": "Trypanosoma cruzi",
"uniprot_code": "Q71MD6",
"uniprot_range_first": 1,
"uniprot_range_last": 697,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MRSVYPLARRSMAAYTMHNMTVPEPYDYLEDPENPETKTFVNEQNAFFEEYFASEAELRK\nKIFESISNSQDYPRTSNPSYINGHYYYYHNSGLQNQSVLMRAMSLTDTAPSIFLDPNSMS\nSDGTTALKATAWSEDESMLAYSLSDKGSDWQRIHVRRADTVEDTSDVIEWAKFTAIAWWH\nNLGFFYTRYPALQGDVDKGAETDAAQDAFICFHRIGRPQDEDVVILSVPEHPQWNMGASV\nSDCHSYVIVVLFDGCEPHNLVWVAELPSVEKGLGSEPLVFKKLVNEFAGRYTYLGNEGST\nFYFVTTRDAPRKKIVSIDIHTGQETVIVEQQRSVLSQAALVKKTLLLAYLEDVKDVFYYC\nRLEDPTLNAIPLPIGTITSFFSDRKKDFVSFKITSFLLPGRSFFLDINDPQSSLRVFKDD\nTVEGLLVDDFVTEQTFYNSSDGVRIPMFIVYRKGSVSSESPLLLYGYGGFNIPLTPAFSS\nSRMVFLRDLGGVLAVLNIRGGGEYGEEWHDAGRRACKQNCFTDFIEGAKFLHRQGYGSPQ\nTTAIMGGSNGGLLVAAVANQAPELFRCVVCRVGVLDMYKFHKFTIGHAWKSDYGDPEKEE\nDFRVLQQYSPLHNIKSGIKYPAILVVTGDHDDRVVPLHSLKYVATLQHMNPNEGGPFLAR\nIEVAAGHGAGKPTSKILREAGDIYTFIAKNINASWKE",
"mw": 78.335,
"total_mw": 78.335,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": ""
}
],
"buffer": {
"name": "20 mM HEPES, 150 mM NaCl",
"concentration_unit": null,
"comment": "Purification buffer",
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.4,
"deuteration": null
},
"purity_method": null,
"name": "SEC-SAXS of Trypanosoma cruzi Prolyl Oligopepetidase (TcPOP)",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": null,
"full_name": "university of nottingham",
"webpage": null
}
],
"contributor_name": "Ivan",
"contributor_surname": "Campeotto",
"orcid": "https://orcid.org/0000-0002-0814-619X"
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2023-04-24",
"storage_temperature": 15.0,
"cell_temperature": 15.0,
"exposure_time": 3.0,
"number_of_frames": 600,
"wavelength": 0.09464,
"sample_detector_distance": 3.6856,
"concentration_min": null,
"concentration_max": 8.0,
"sample_volume": 50.0,
"flow_rate": 0.08,
"s_min": 0.045,
"s_max": 3.4,
"total_exposure_time": null,
"seccolumn": 2
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDW23_fit1_model1_img.png",
"software": "AlphaFold",
"pdb_link": [],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDW23_fit1_model1.pdb",
"model_mw": 78.31,
"bead_radius": null,
"log": "https://www.sasbdb.org/media/log_files/open_jEX66Kv.log",
"symmetry": "C1",
"comment": null,
"user": 1152
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDW23_fit1_fixed_fit_img.png",
"software": "DENSS",
"chi_square_value": 1.0833,
"p_value": 0.0064,
"fit_residual_plot": "SASDW23_fit1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDW23_fit1.fit",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/avrg_001_16.log",
"software_version": null,
"description": ""
},
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDW23_fit2_model1_img.png",
"software": "AlphaFold",
"pdb_link": [],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDW23_fit2_model1.pdb",
"model_mw": 78.31,
"bead_radius": null,
"log": "https://www.sasbdb.org/media/log_files/close.log",
"symmetry": "C1",
"comment": null,
"user": 1152
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDW23_fit2_fixed_fit_img.png",
"software": "DENSS",
"chi_square_value": 1.0356,
"p_value": 0.0002,
"fit_residual_plot": "SASDW23_fit2_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDW23_fit2.fit",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/avrg_001_9.log",
"software_version": null,
"description": ""
}
],
"estimated_volume_method": null,
"pddf_software": "BioXTAS RAW",
"pddf_software_version": null,
"i0_calibration_standard": null,
"description": "CAUTION! Primary display data is different to the data used for modelling! CAUTION! Data used for modelling has NO GUINIER REGION, i.e., does not encompass the particle size/volume and radius of gyration! CAUTION! The models displayed in this entry were NOT used to calculate the fits to the data and therefore have no connection/relevance to the fits displayed in this entry (interpret model fits with extreme caution)!",
"experiment_description": null,
"tags": [],
"intensity_unit": "arbitrary",
"experimental_mw": 78.5,
"experimental_mw_error": null,
"guinier_i0_mw": 75.0,
"guinier_i0_mw_error": null,
"porod_mw": 88.0,
"porod_mw_error": null,
"pddf_i0": 0.01530873,
"pddf_i0_error": null,
"guinier_i0": 0.0248482,
"guinier_i0_error": null,
"pddf_rg": 0.0,
"pddf_rg_error": null,
"guinier_rg": 3.0,
"guinier_rg_error": 0.103,
"pddf_dmax": 0.03,
"pddf_dmax_error": null,
"porod_volume": 142.0,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 45,
"guinier_point_last": 298,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDW23_datloglog_img.png",
"symmetry": null,
"last_modified": "2025-08-07T13:57:51.099551+02:00",
"bragg_peak": []
}
