{ "code": "SASDX52", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/A", "project": { "title": "Structural enzymological studies of the long chain fatty acyl-CoA synthetase FadD5 from the mce1 operon of Mycobacterium tuberculosis.", "publication": { "title": "Structural enzymological studies of the long chain fatty acyl-CoA synthetase FadD5 from the mce1 operon of Mycobacterium tuberculosis.", "author_list": "Rahman MA, Dalwani S, Venkatesan R", "journal": "Biochem Biophys Res Commun", "doi": "10.1016/j.bbrc.2025.151960", "pmid": "40347623", "published_date": "2025 May 9" }, "status": "released", "submitted_date": "2025-03-06", "released_date": "2025-03-07" }, "pddf_data": null, "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDX52.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX52_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX52_kratky_img.png", "pddf_plot": null, "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX52_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDX52.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "Eiger 4M", "resolution": 75.0 }, "name": "Diamond Light Source", "city": "Didcot", "country": "UK", "beamline_name": "B21", "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": "Probable fatty-acid-CoA ligase FadD5 (Fatty-acid-CoA synthetase) (Fatty-acid-CoA synthase)", "short_name": "FadD5", "sequence": "MGSSHHHHHHSQDPNSMTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRRVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVEDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDIPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGIGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLRLRVLSWGAAPAPDALLRQMSATFPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVIPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDSDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVTNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSASAGFTERRENRQKL", "organism": "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)", "uniprot_code": "O07411", "uniprot_range_first": 1, "uniprot_range_last": 554, "oligomerization": "dimer", "molecular_type": "protein", "uniprot_sequence": "MTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRR\nVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVE\nDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDI\nPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGI\nGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLR\nLRVLSWGAAPAPDALLRQMSATFPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVI\nPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDS\nDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVT\nNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSA\nSAGFTERRENRQKL", "mw": 61.719, "total_mw": 123.438, "number_molecules": 2, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": "The protein construct used for SAXS contains an additional 16 non-native amino acids at the N-terminus, including a polyhistidine tag (MGSSHHHHHHSQDPNS)." } ], "buffer": { "name": "20 mM HEPES, 500 mM NaCl, 5 mM MgCl2, 1 mM β-mercaptoethanol", "concentration_unit": null, "comment": "FadD5 SEC buffer", "additive": null, "concentration": null, "pka": null, "ph": 7.5, "deuteration": null }, "purity_method": null, "name": "Fatty acyl-CoA synthetase FadD5", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": "Finland", "full_name": "University of Oulu", "webpage": "https://www.oulu.fi" } ], "contributor_name": "Rajaram", "contributor_surname": "Venkatesan", "orcid": "https://orcid.org/0000-0002-7257-1211" } ], "concentration_method": null, "concentration_unit": null, "date": "2022-10-20", "storage_temperature": -80.0, "cell_temperature": 4.0, "exposure_time": 1.0, "number_of_frames": 20, "wavelength": 0.09537, "sample_detector_distance": 3.721, "concentration_min": null, "concentration_max": 4.0, "sample_volume": null, "flow_rate": null, "s_min": 0.101, "s_max": 1.799, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDX52_fit1_model1_img.png", "software": "AlphaFold", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDX52_fit1_model1.pdb", "model_mw": 119.8, "bead_radius": null, "log": null, "symmetry": null, "comment": null, "user": 1198 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDX52_fit1_fixed_fit_img.png", "software": "FoXS", "chi_square_value": 0.698835, "p_value": 0.0, "fit_residual_plot": "SASDX52_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDX52_fit1.fit", "fit_log": null, "software_version": null, "description": "FadD5 SAXS vs AF dimer" } ], "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 Fatty acyl-CoA synthetase in 20 mM HEPES, 500 mM NaCl, 5 mM MgCl2, 1 mM β-mercaptoethanol, pH 7.5 were collected on the B21 beam line at the Diamond Light Source (Didcot, UK) using a Eiger 4M detector at a sample-detector distance of 3.72 m and at a wavelength of λ = 0.09537 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 4.00 mg/ml was measured at 4°C. 20 successive 1 s 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": 138.0, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 138.0, "porod_mw_error": null, "pddf_i0": null, "pddf_i0_error": null, "guinier_i0": 0.33213, "guinier_i0_error": null, "pddf_rg": null, "pddf_rg_error": null, "guinier_rg": 3.597, "guinier_rg_error": 0.135, "pddf_dmax": 12.3, "pddf_dmax_error": null, "porod_volume": 221.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 17, "guinier_point_last": 199, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDX52_datloglog_img.png", "symmetry": null, "last_modified": "2025-03-07T11:04:38.710981+01:00", "bragg_peak": [] }