{ "code": "SASDAX2", "status": "Published", "type_of_curve": "Merged", "angular_unit": "1/nm", "project": { "title": "Crystal versus solution structures of thiamine diphosphate-dependent enzymes.", "publication": { "title": "Crystal versus solution structures of thiamine diphosphate-dependent enzymes.", "author_list": "Svergun DI, Petoukhov MV, Koch MH, König S", "journal": "J Biol Chem", "doi": " ", "pmid": "10617618", "published_date": "2000 Jan 7" }, "status": "released", "submitted_date": null, "released_date": "2015-07-07" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDAX2.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDAX2.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAX2_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAX2_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDAX2_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAX2_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDAX2.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "1D Gas detector", "resolution": null }, "name": "DORIS III, DESY", "city": "Hamburg", "country": "Germany", "beamline_name": "EMBL X33", "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": "Pyruvate decarboxylase", "short_name": "ZmPDC", "sequence": ">sp|P06672|PDC_ZYMMO Pyruvate decarboxylase OS=Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4) GN=pdc PE=1 SV=1\r\nMSYTVGTYLAERLVQIGLKHHFAVAGDYNLVLLDNLLLNKNMEQVYCCNELNCGFSAEGY\r\nARAKGAAAAVVTYSVGALSAFDAIGGAYAENLPVILISGAPNNNDHAAGHVLHHALGKTD\r\nYHYQLEMAKNITAAAEAIYTPEEAPAKIDHVIKTALREKKPVYLEIACNIASMPCAAPGP\r\nASALFNDEASDEASLNAAVEETLKFIANRDKVAVLVGSKLRAAGAEEAAVKFADALGGAV\r\nATMAAAKSFFPEENPHYIGTSWGEVSYPGVEKTMKEADAVIALAPVFNDYSTTGWTDIPD\r\nPKKLVLAEPRSVVVNGIRFPSVHLKDYLTRLAQKVSKKTGALDFFKSLNAGELKKAAPAD\r\nPSAPLVNAEIARQVEALLTPNTTVIAETGDSWFNAQRMKLPNGARVEYEMQWGHIGWSVP\r\nAAFGYAVGAPERRNILMVGDGSFQLTAQEVAQMVRLKLPVIIFLINNYGYTIEVMIHDGP\r\nYNNIKNWDYAGLMEVFNGNGGYDSGAGKGLKAKTGGELAEAIKVALANTDGPTLIECFIG\r\nREDCTEELVKWGKRVAAANSRKPVNKLL", "organism": "Zymomonas mobilis", "uniprot_code": "P06672", "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "tetramer", "molecular_type": "protein", "uniprot_sequence": "MSYTVGTYLAERLVQIGLKHHFAVAGDYNLVLLDNLLLNKNMEQVYCCNELNCGFSAEGY\nARAKGAAAAVVTYSVGALSAFDAIGGAYAENLPVILISGAPNNNDHAAGHVLHHALGKTD\nYHYQLEMAKNITAAAEAIYTPEEAPAKIDHVIKTALREKKPVYLEIACNIASMPCAAPGP\nASALFNDEASDEASLNAAVEETLKFIANRDKVAVLVGSKLRAAGAEEAAVKFADALGGAV\nATMAAAKSFFPEENPHYIGTSWGEVSYPGVEKTMKEADAVIALAPVFNDYSTTGWTDIPD\nPKKLVLAEPRSVVVNGIRFPSVHLKDYLTRLAQKVSKKTGALDFFKSLNAGELKKAAPAD\nPSAPLVNAEIARQVEALLTPNTTVIAETGDSWFNAQRMKLPNGARVEYEMQWGHIGWSVP\nAAFGYAVGAPERRNILMVGDGSFQLTAQEVAQMVRLKLPVIIFLINNYGYTIEVMIHDGP\nYNNIKNWDYAGLMEVFNGNGGYDSGAGKGLKAKTGGELAEAIKVALANTDGPTLIECFIG\nREDCTEELVKWGKRVAAANSRKPVNKLL", "mw": 60.93, "total_mw": 244.0, "number_molecules": 4, "complex_state": null, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "100 mM Sodium Citrate, 17% Glycerol, 22.5% PEG 1500", "concentration_unit": null, "comment": "buffer for thiamin diphosphat dependent enzyme", "additive": "Glycerol 17.000 %, PEG 1500 22.500 %, Sodium Citrate 100.000 mM", "concentration": null, "pka": null, "ph": 6.0, "deuteration": null }, "purity_method": null, "name": "Pyruvate decarboxylase (PDC) from Z. mobilis", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [], "contributor_name": "Stephan", "contributor_surname": "Koenig", "orcid": null }, { "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": "Maxim", "contributor_surname": "Petoukhov", "orcid": null } ], "concentration_method": null, "concentration_unit": null, "date": "1998-11-03", "storage_temperature": null, "cell_temperature": null, "exposure_time": null, "number_of_frames": null, "wavelength": null, "sample_detector_distance": null, "concentration_min": null, "concentration_max": null, "sample_volume": null, "flow_rate": null, "s_min": 0.293, "s_max": 4.69, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDAX2_fit1_model1_img.png", "software": "CRYSOL", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": "", "model_data": "https://www.sasbdb.org/media/pdb_file/SASDAX2_fit1_model1.PDB", "model_mw": 243.9, "bead_radius": null, "log": "https://www.sasbdb.org/media/log_files/ZYMM00.log", "symmetry": "P222", "comment": "This is Xtal model", "user": 102 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDAX2_fit1_fit_img.png", "software": null, "chi_square_value": 0.667884, "p_value": 0.005737, "fit_residual_plot": "SASDAX2_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDAX2_fit1.fit", "fit_log": null, "software_version": null, "description": null } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": null, "i0_calibration_standard": null, "description": null, "experiment_description": null, "tags": [ "X33" ], "intensity_unit": null, "experimental_mw": 247.0, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": null, "porod_mw_error": null, "pddf_i0": null, "pddf_i0_error": null, "guinier_i0": 10.2, "guinier_i0_error": null, "pddf_rg": 3.763, "pddf_rg_error": null, "guinier_rg": 3.9, "guinier_rg_error": null, "pddf_dmax": 11.0, "pddf_dmax_error": null, "porod_volume": null, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": null, "guinier_point_last": null, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": "https://www.sasbdb.org/media/standard_curves/O12_copy_3.DAT", "intensities_log_log_plot": "SASDAX2_datloglog_img.png", "symmetry": null, "last_modified": "2023-05-25T11:22:00.786940+02:00", "bragg_peak": [] }