{ "code": "SASDVB2", "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/SASDVB2.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDVB2.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVB2_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVB2_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDVB2_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDVB2_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDVB2.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 5% (w/v) PEG2000", "concentration_unit": null, "comment": "5% (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) in 100mM Sodium Phosphate buffer, pH=7.0, c=5mg/ml, 1 week after SEC", "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": [], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "5.0", "i0_calibration_standard": null, "description": "Experimental molecular weight: Size&Shape value from PRIMUS was used.", "experiment_description": null, "tags": [], "intensity_unit": "1/cm", "experimental_mw": 61.805, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 64.0, "porod_mw_error": null, "pddf_i0": 0.1205, "pddf_i0_error": 0.0004, "guinier_i0": 0.119825, "guinier_i0_error": null, "pddf_rg": 2.416, "pddf_rg_error": 0.007, "guinier_rg": 2.396, "guinier_rg_error": 0.023, "pddf_dmax": 6.8, "pddf_dmax_error": null, "porod_volume": 107.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 7, "guinier_point_last": 79, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDVB2_datloglog_img.png", "symmetry": null, "last_modified": "2024-10-24T13:24:24.520562+02:00", "bragg_peak": [] }