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{
"code": "SASDVE2",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/nm",
"project": {
"title": "Hemoglobin–PEG Interactions Probed by Small-Angle X-ray Scattering: Insights for Crystallization and Diagnostics Applications",
"publication": {
"title": "Hemoglobin–PEG Interactions Probed by Small-Angle X-ray Scattering: Insights for Crystallization and Diagnostics Applications",
"author_list": "Baranova I, Angelova A, Stransky J, Andreasson J, Angelov B",
"journal": "The Journal of Physical Chemistry B",
"doi": "10.1021/acs.jpcb.4c03003",
"pmid": null,
"published_date": "2024 Sep 09"
},
"status": "released",
"submitted_date": "2024-05-28",
"released_date": "2024-09-10"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDVE2.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDVE2.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVE2_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVE2_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDVE2_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVE2_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDVE2.sascif",
"experiment": {
"instrument": {
"detector": {
"type": null,
"name": "Eiger R 1M",
"resolution": 0.75
},
"name": "Institute of Biotechnology, Czech Academy of Sciences/Centre of Molecular Structure",
"city": "Vestec",
"country": "Czech Republic",
"beamline_name": "Anton Paar SAXSpoint 2.0",
"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": "Hemoglobin subunit alpha",
"short_name": "human HbA",
"sequence": "VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHG\r\nKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTP\r\nAVHASLDKFLASVSTVLTSKYR",
"organism": "Homo sapiens",
"uniprot_code": "P69905",
"uniprot_range_first": 2,
"uniprot_range_last": 142,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHG\nKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTP\nAVHASLDKFLASVSTVLTSKYR",
"mw": 15.126,
"total_mw": 15.126,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": ""
},
{
"long_name": "Hemoglobin subunit beta",
"short_name": "human HbB",
"sequence": "VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPK\r\nVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFG\r\nKEFTPPVQAAYQKVVAGVANALAHKYH",
"organism": "Homo sapiens",
"uniprot_code": "P68871",
"uniprot_range_first": 2,
"uniprot_range_last": 147,
"oligomerization": "monomer",
"molecular_type": "protein",
"uniprot_sequence": "MVHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPK\nVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFG\nKEFTPPVQAAYQKVVAGVANALAHKYH",
"mw": 15.867,
"total_mw": 15.867,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": ""
},
{
"long_name": "Protoporphyrin IX containing fe",
"short_name": "Heme B, Haem B",
"sequence": "C34H32FeN4O4",
"organism": null,
"uniprot_code": null,
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "monomer",
"molecular_type": "other",
"uniprot_sequence": "",
"mw": 0.616,
"total_mw": 0.616,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": "CAS: 104244-10-2\r\n\r\nECSA: 600-546-5\r\n\r\nIUPAC: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)"
}
],
"buffer": {
"name": "100mM Sodium Phosphate buffer with 10% (w/v) PEG2000",
"concentration_unit": null,
"comment": "10% (w/v) PEG2000 is the final concentration.",
"additive": null,
"concentration": null,
"pka": null,
"ph": 7.0,
"deuteration": null
},
"purity_method": null,
"name": "Human Haemoglobin (Sigma-Aldrich) with 10% PEG2000 in 100mM Sodium Phosphate buffer, pH=7.0, c=5mg/ml",
"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": "The Extreme Light Infrastructure ERIC",
"webpage": null
}
],
"contributor_name": "Iuliia",
"contributor_surname": "Baranova",
"orcid": "https://orcid.org/0009-0003-2262-2054"
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2022-10-06",
"storage_temperature": 23.0,
"cell_temperature": 20.0,
"exposure_time": 30.0,
"number_of_frames": 30,
"wavelength": 1.34,
"sample_detector_distance": 0.8256,
"concentration_min": null,
"concentration_max": 5.0,
"sample_volume": 500.0,
"flow_rate": 0.7,
"s_min": 0.083,
"s_max": 3.997,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDVE2_fit1_model1_img.png",
"software": "DAMMIF",
"pdb_link": [],
"model_title": null,
"type_of_model": "dummy",
"software_version": "dammif (r12736)",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDVE2_fit1_model1.pdb",
"model_mw": null,
"bead_radius": 1.6,
"log": "https://www.sasbdb.org/media/log_files/Hb10PEG2000-subtrbefore_13.log",
"symmetry": null,
"comment": null,
"user": 1072
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDVE2_fit1_fixed_fit_img.png",
"software": "DAMMIF",
"chi_square_value": 1.076,
"p_value": 0.0942,
"fit_residual_plot": "SASDVE2_fit1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDVE2_fit1.fir",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/Hb10PEG2000-subtrbefore_13.log",
"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": null,
"tags": [],
"intensity_unit": "1/cm",
"experimental_mw": 93.0,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 82.0,
"porod_mw_error": null,
"pddf_i0": 0.08284,
"pddf_i0_error": 0.0008,
"guinier_i0": 0.0823834,
"guinier_i0_error": null,
"pddf_rg": 2.912,
"pddf_rg_error": 0.043,
"guinier_rg": 2.827,
"guinier_rg_error": 0.042,
"pddf_dmax": 11.3,
"pddf_dmax_error": null,
"porod_volume": 131.0,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 9,
"guinier_point_last": 65,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDVE2_datloglog_img.png",
"symmetry": null,
"last_modified": "2024-10-24T13:24:24.520562+02:00",
"bragg_peak": []
}
