{ "code": "SASDDA6", "status": "Published", "type_of_curve": "Merged", "angular_unit": "1/A", "project": { "title": "A biophysical and structural study of two chitinases from Agave tequilana and their potential role as defense proteins.", "publication": { "title": "A biophysical and structural study of two chitinases from Agave tequilana and their potential role as defense proteins.", "author_list": "Sierra-Gómez Y, Rodríguez-Hernández A, Cano-Sánchez P, Gómez-Velasco H, Hernández-Santoyo A, Siliqi D, Rodríguez-Romero A", "journal": "FEBS J", "doi": "10.1111/febs.14993", "pmid": "31291689", "published_date": "2019 Jul 10" }, "status": "released", "submitted_date": "2018-05-28", "released_date": "2019-07-16" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDDA6.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDDA6.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDA6_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDA6_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDDA6_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDA6_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDDA6.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "Rayonix MX225-HE", "resolution": null }, "name": "Stanford Synchrotron Radiation Lightsource (SSRL)", "city": "Menlo Park, CA", "country": "USA", "beamline_name": "BL4-2", "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": "Chitinase 2", "short_name": "ChiAt2", "sequence": ">ChiAt2 A.tequilana\r\nSNAQQCGSQAGGAVCPNGLCCSQFGYCGSTSPYCGNGCQSQCGGGSSPTPNPPSGGGGGG\r\nGGGGSGVGSIISSSLFDQMLLHRNDAACPANGFYTYDAFVAAANAFSGFATTGDADTQKR\r\nEIAAFLAQTSHETTGGWPTAPDGPYSWGYCFLQEQGNPGDYCVPNDQWPCAPGKKYYGRG\r\nPIQISYNYNYGPCGNAIRSDLLNNPDLVASDPTVSFKTALWFWMTPQSPKPSCHDVITRA\r\nWTPSAADQAAGRVPGFGVITNIINGGVECGHGSDSRDEDRVGFYKRYCDILGVSFGDNLD\r\nCGNQSHF", "organism": "Agave tequilana", "uniprot_code": null, "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": null, "mw": 31.9, "total_mw": 31.9, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "MES 50 mM", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 6.0, "deuteration": null }, "purity_method": null, "name": "Class I chitinase 2 from Agave tequilana", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": "Mexico", "full_name": "IQ, UNAM", "webpage": "https://www.iquimica.unam.mx/" } ], "contributor_name": "Yusvel", "contributor_surname": "Sierra-Gómez", "orcid": null } ], "concentration_method": null, "concentration_unit": null, "date": "2017-04-19", "storage_temperature": 4.0, "cell_temperature": 15.0, "exposure_time": 1.0, "number_of_frames": null, "wavelength": 0.1127, "sample_detector_distance": 1.8, "concentration_min": 0.46, "concentration_max": 7.5, "sample_volume": null, "flow_rate": null, "s_min": 0.067, "s_max": 3.226, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDDA6_fit1_model1_img.png", "software": "DAMMIF", "pdb_link": [], "model_title": null, "type_of_model": "dummy", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDDA6_fit1_model1.pdb", "model_mw": 24.942, "bead_radius": 2.5, "log": "https://www.sasbdb.org/media/log_files/merge_scatter_cut-1.log", "symmetry": null, "comment": null, "user": 310 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDA6_fit1_fit_img.png", "software": "DAMMIF", "chi_square_value": 2.244, "p_value": 0.001073, "fit_residual_plot": "SASDDA6_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDDA6_fit1.fir", "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/merge_scatter_cut-1.log", "software_version": null, "description": null } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "5.0", "i0_calibration_standard": null, "description": null, "experiment_description": "Synchrotron SAXS data from solutions of Chitinase 2 from Agave tequilana in MES 50 mM, pH 6, were collected on the BL4-2 beam line at the Stanford Synchrotron Radiation Lightsource (SSRL; Stanford, CA, USA) using a Rayonix MX225-HE detector at a sample-detector distance of 1.8 m and at a wavelength of λ = 0.1127 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Solute concentrations ranging between 0.5 and 7.5 mg/ml were measured at 15°C. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted. The low angle data collected at lower concentration were merged with the highest concentration high angle data to yield the final composite scattering curve.", "tags": [], "intensity_unit": null, "experimental_mw": 31.9, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": null, "porod_mw_error": null, "pddf_i0": 108.4, "pddf_i0_error": null, "guinier_i0": 107.28, "guinier_i0_error": 0.13, "pddf_rg": 2.51, "pddf_rg_error": null, "guinier_rg": 2.38, "guinier_rg_error": 0.047, "pddf_dmax": 9.75, "pddf_dmax_error": null, "porod_volume": 49.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 18, "guinier_point_last": 83, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDDA6_datloglog_img.png", "symmetry": null, "last_modified": "2019-12-06T13:07:15.624532+01:00", "bragg_peak": [] }