{ "code": "SASDEM5", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/nm", "project": { "title": "Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase.", "publication": { "title": "Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase.", "author_list": "Van Laer B, Kapp U, Soler-Lopez M, Moczulska K, Pääbo S, Leonard G, Mueller-Dieckmann C", "journal": "Sci Rep", "doi": "10.1038/s41598-018-36195-5", "pmid": "30573755", "published_date": "2018 Dec 20" }, "status": "released", "submitted_date": "2018-10-03", "released_date": "2019-01-16" }, "pddf_data": null, "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDEM5.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEM5_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEM5_kratky_img.png", "pddf_plot": null, "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEM5_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDEM5.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": "Adenylosuccinate lyase", "short_name": "ADSL", "sequence": "GSHMAAGGDHGSPDSYRSPLASRYASPEMCFVFSDRYKFRTWR\r\nQLWLWLAEAEQTLGLPITDEQIQEMKSNLENIDFKMAAEEEKRLRHDVMAHVHTFGHCCP\r\nKAAGIIHLGATSCYVGDNTDLIILRNALDLLLPKLARVISRLADFAKERASLPTLGFTHF\r\nQPAQLTTVGKRCCLWIQDLCMDLQNLKRVRDDLRFRGVKGTTGTQASFLQLFEGDDHKVE\r\nQLDKMVTEKAGFKRAFIITGQTYTRKVDIEVLSVLASLGASVHKICTDIRLLANLKEMEE\r\nPFEKQQIGSSAMPYKRNPMRSERCCSLARHLMTLVMDPLQTASVQWFERTLDDSANRRIC\r\nLAEAFLTADTILNTLQNISEGLVVYPKVIERRIRQELPFMATENIIMAMVKAGGSRQDCH\r\nEKIRVLSQQAASVVKQEGGDNDLIERIQADAYFSPIHSQLDHLLDPSSFTGRASQQVQRF\r\nLEEEVYPLLKPYESVMKVKAELCL", "organism": "Homo sapiens neanderthalensis", "uniprot_code": "A0A384E0N4", "uniprot_range_first": 1, "uniprot_range_last": 487, "oligomerization": "tetramer", "molecular_type": "protein", "uniprot_sequence": "GSHMAAGGDHGSPDSYRSPLASRYASPEMCFVFSDRYKFRTWRQLWLWLAEAEQTLGLPI\nTDEQIQEMKSNLENIDFKMAAEEEKRLRHDVMAHVHTFGHCCPKAAGIIHLGATSCYVGD\nNTDLIILRNALDLLLPKLARVISRLADFAKERASLPTLGFTHFQPAQLTTVGKRCCLWIQ\nDLCMDLQNLKRVRDDLRFRGVKGTTGTQASFLQLFEGDDHKVEQLDKMVTEKAGFKRAFI\nITGQTYTRKVDIEVLSVLASLGASVHKICTDIRLLANLKEMEEPFEKQQIGSSAMPYKRN\nPMRSERCCSLARHLMTLVMDPLQTASVQWFERTLDDSANRRICLAEAFLTADTILNTLQN\nISEGLVVYPKVIERRIRQELPFMATENIIMAMVKAGGSRQDCHEKIRVLSQQAASVVKQE\nGGDNDLIERIQADAYFSPIHSQLDHLLDPSSFTGRASQQVQRFLEEEVYPLLKPYESVMK\nVKAELCL", "mw": 55.142, "total_mw": 220.568, "number_molecules": 4, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": "" } ], "buffer": { "name": "10 mM HEPES, 100 mM NaCl, 1 mM DTT", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.5, "deuteration": null }, "purity_method": null, "name": "apo neanderthal adenylosuccinate lyase (ADSL)", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": "ESRF", "address": "Grenoble, France", "full_name": "European Synchrotron Radiation Facility", "webpage": "http://www.esrf.eu/" } ], "contributor_name": "Bart", "contributor_surname": "Van Laer", "orcid": "" } ], "concentration_method": null, "concentration_unit": null, "date": "2015-11-13", "storage_temperature": 20.0, "cell_temperature": 20.0, "exposure_time": 1.0, "number_of_frames": 10, "wavelength": 0.099, "sample_detector_distance": 2.864, "concentration_min": null, "concentration_max": 5.0, "sample_volume": null, "flow_rate": null, "s_min": 0.047, "s_max": 3.804, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEM5_fit1_model1_img.png", "software": "PDB (Protein Data Bank)", "pdb_link": [ { "pdb_code": "5nx8", "ext_code": "5NX8", "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/SASDEM5_fit1_model1.pdb", "model_mw": 210.2, "bead_radius": null, "log": null, "symmetry": null, "comment": null, "user": 371 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/nADSL_apo_pdbset100_fit_img.png", "software": "CRYSOL", "chi_square_value": 2.506, "p_value": 0.0, "fit_residual_plot": null, "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEM5_fit1.fit", "fit_log": null, "software_version": null, "description": "" } ], "estimated_volume_method": null, "pddf_software": null, "pddf_software_version": null, "i0_calibration_standard": null, "description": null, "experiment_description": "Synchrotron SAXS data from solutions of apo neanderthal adenylosuccinate lyase (ADSL) in 10 mM HEPES, 100 mM NaCl, 1 mM DTT, pH 7.5 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Dectris Pilatus 1M detector at a sample-detector distance of 2.9 m and at a wavelength of λ = 0.099 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 5.00 mg/ml was measured at 20°C. 10 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.", "tags": [], "intensity_unit": "arbitrary", "experimental_mw": 185.0, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 190.0, "porod_mw_error": null, "pddf_i0": null, "pddf_i0_error": null, "guinier_i0": 153.81, "guinier_i0_error": 0.04, "pddf_rg": null, "pddf_rg_error": null, "guinier_rg": 3.69, "guinier_rg_error": null, "pddf_dmax": null, "pddf_dmax_error": null, "porod_volume": 304.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 5, "guinier_point_last": 65, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDEM5_datloglog_img.png", "symmetry": null, "last_modified": "2022-03-31T21:46:29.624392+02:00", "bragg_peak": [] }