{ "code": "SASDDJ3", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/nm", "project": { "title": "Machine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions.", "publication": { "title": "Machine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions.", "author_list": "Franke D, Jeffries CM, Svergun DI", "journal": "Biophys J", "doi": "10.1016/j.bpj.2018.04.018", "pmid": "29874600", "published_date": "2018 Jun 5" }, "status": "released", "submitted_date": null, "released_date": "2018-06-07" }, "pddf_data": null, "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDDJ3.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDJ3_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDJ3_kratky_img.png", "pddf_plot": null, "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDJ3_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDDJ3.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "Pilatus 2M", "resolution": null }, "name": "PETRA III", "city": "DESY; Hamburg", "country": "Germany", "beamline_name": "EMBL P12", "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": "Lipase B from Pseudozyma antarctica", "short_name": "lipase B", "sequence": "LPSGSDPAFSQPKSVLDAGLTCQGASPSSVSKPILLVPGTGTTGPQSFDSNWIPLSTQLGYTPCWISPPPFMLNDTQVNT\r\nEYMVNAITALYAGSGNNKLPVLTWSQGGLVAQWGLTFFPSIRSKVDRLMAFAPDYKGTVLAGPLDALAVSAPSVWQQTTG\r\nSALTTALRNAGGLTQIVPTTNLYSATDEIVQPQVSNSPLDSSYLFNGKNVQAQAVCGPLFVIDHAGSLTSQFSYVVGRSA\r\nLRSTTGQARSADYGITDCNPLPANDLTPEQKVAAAALLAPAAAAIVAGPKQNCEPDLMPYARPFAVGKRTCSGIVTP", "organism": "Moesziomyces antarcticus", "uniprot_code": "P41365", "uniprot_range_first": 26, "uniprot_range_last": 342, "oligomerization": "other", "molecular_type": "protein", "uniprot_sequence": "MKLLSLTGVAGVLATCVAATPLVKRLPSGSDPAFSQPKSVLDAGLTCQGASPSSVSKPIL\nLVPGTGTTGPQSFDSNWIPLSTQLGYTPCWISPPPFMLNDTQVNTEYMVNAITALYAGSG\nNNKLPVLTWSQGGLVAQWGLTFFPSIRSKVDRLMAFAPDYKGTVLAGPLDALAVSAPSVW\nQQTTGSALTTALRNAGGLTQIVPTTNLYSATDEIVQPQVSNSPLDSSYLFNGKNVQAQAV\nCGPLFVIDHAGSLTSQFSYVVGRSALRSTTGQARSADYGITDCNPLPANDLTPEQKVAAA\nALLAPAAAAIVAGPKQNCEPDLMPYARPFAVGKRTCSGIVTP", "mw": 33.022, "total_mw": 33.022, "number_molecules": 0, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "100 mM NaCl, 20 mM Na2HPO4", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 6.0, "deuteration": null }, "purity_method": null, "name": "Candida antarctica lipase B - with guanidine-HCl unfolding series", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": "EMBL-Hamburg", "address": "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany", "full_name": "European Molecular Biology Laboratory (EMBL) - Hamburg outstation", "webpage": "http://www.embl-hamburg.de/index.php" } ], "contributor_name": "Cy M", "contributor_surname": "Jeffries", "orcid": null } ], "concentration_method": null, "concentration_unit": null, "date": "2013-07-29", "storage_temperature": 10.0, "cell_temperature": 10.0, "exposure_time": 0.03, "number_of_frames": 1, "wavelength": 0.124, "sample_detector_distance": 3.1, "concentration_min": null, "concentration_max": 4.65, "sample_volume": null, "flow_rate": null, "s_min": 0.054, "s_max": 3.495, "total_exposure_time": null, "seccolumn": null }, "fits": [], "estimated_volume_method": null, "pddf_software": null, "pddf_software_version": null, "i0_calibration_standard": null, "description": "In addition to the SAXS profile displayed above, a lipase B unfolding series spanning 0 M to 6 M guanidine hydrochloride is included in the full entry zip archive.", "experiment_description": "Synchrotron SAXS data from solutions of Candida antarctica lipase B - with a guanidine-HCl unfolding series - in 100 mM NaCl, 20 mM Na2HPO4, pH 6 were collected on the P12 beam line at the PETRA III storage ring (DESY, Hamburg, Germany) using a Pilatus 2M detector at a sample-detector distance of 3.1 m and at a wavelength of λ = 0.124 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 4.65 mg/ml was measured at 10°C. One 0.030 second frame was 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": 37.2, "experimental_mw_error": null, "guinier_i0_mw": 37.2, "guinier_i0_mw_error": null, "porod_mw": null, "porod_mw_error": null, "pddf_i0": null, "pddf_i0_error": null, "guinier_i0": 1344.93, "guinier_i0_error": 8.06, "pddf_rg": null, "pddf_rg_error": null, "guinier_rg": 2.41, "guinier_rg_error": 0.08, "pddf_dmax": null, "pddf_dmax_error": null, "porod_volume": null, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 10, "guinier_point_last": 244, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDDJ3_datloglog_img.png", "symmetry": null, "last_modified": "2023-06-21T07:56:39.492710+02:00", "bragg_peak": [] }