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{
"code": "SASDDH7",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/nm",
"project": {
"title": "A combination of mutational and computational scanning guides the design of an artificial ligand-binding controlled lipase.",
"publication": {
"title": "A combination of mutational and computational scanning guides the design of an artificial ligand-binding controlled lipase.",
"author_list": "Kaschner M, Schillinger O, Fettweiss T, Nutschel C, Krause F, Fulton A, Strodel B, Stadler A, Jaeger KE, Krauss U",
"journal": "Sci Rep",
"doi": "10.1038/srep42592",
"pmid": "28218303",
"published_date": "2017 Feb 20"
},
"status": "released",
"submitted_date": "2018-05-17",
"released_date": "2018-06-05"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDDH7.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDDH7.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDH7_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDH7_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDDH7_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDDH7_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDDH7.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": "citrate-binding CitAP domain fused to lipase A of Bacillus subtilis BsLA",
"short_name": "CitAP-BsLA",
"sequence": ">CitAP-BsLA\r\nMGSSHHHHHHSSGLVPRGSHMDITEERLHYQVGQRALIQAMQISAMPELVEAVQKRDLARIKALIDPMRSFSDATYITVG\r\nDASGQRLYHVNPDEIGKSMEGGDSDEALINAKSYVSVRKGSLGSSLRGKSPIQDATGKVIGIVSVGYTIEQLENYEKLLE\r\nDSLTEITALSIEGREAEHNPVVMVHGIGGASFNFAGIKSYLVSQGWSRDKLYAVDFWDKTGTNYNNGPVLSRFVQKVLDE\r\nTGAKKVDIVAHSMGGANTLYYIKNLDGGNKVANVVTLGGANRLTTGKALPGTDPNQKILYTSIYSSADMIVMNYLSRLDG\r\nARNVQIHGVGHIGLLYSSQVNSLIKEGLNGGGQNTN",
"organism": null,
"uniprot_code": null,
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "dimer",
"molecular_type": "protein",
"uniprot_sequence": null,
"mw": 38.495,
"total_mw": 76.99,
"number_molecules": 2,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "10 mM glycine buffer, 10 mM NaCl, 1 mM sodium citrate",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 10.0,
"deuteration": null
},
"purity_method": null,
"name": "Citrate-binding PAS domain from the sensor histidine kinase, CitA, fused to lipase EstA in the presence of citrate",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Germany",
"full_name": "Forschungszentrum Jülich",
"webpage": "https://www.fz-juelich.de"
}
],
"contributor_name": "Andreas",
"contributor_surname": "Stadler",
"orcid": null
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2014-02-06",
"storage_temperature": 20.0,
"cell_temperature": 20.0,
"exposure_time": 1.0,
"number_of_frames": 10,
"wavelength": 0.09919,
"sample_detector_distance": 2.849,
"concentration_min": null,
"concentration_max": 5.01,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.036,
"s_max": 5.012,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDDH7_fit1_model1_img.png",
"software": "DAMMIF",
"pdb_link": [],
"model_title": null,
"type_of_model": "dummy",
"software_version": "2.5",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDDH7_fit1_model1.pdb",
"model_mw": 84.15,
"bead_radius": 3.0,
"log": null,
"symmetry": null,
"comment": null,
"user": 317
},
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDDH7_fit1_model2_img.png",
"software": "DAMMIF",
"pdb_link": [],
"model_title": null,
"type_of_model": "dummy",
"software_version": "2.5",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDDH7_fit1_model2.pdb",
"model_mw": 84.0,
"bead_radius": 2.4,
"log": null,
"symmetry": null,
"comment": null,
"user": 317
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDH7_fit1_fit_img.png",
"software": "DAMMIF",
"chi_square_value": 1.432809,
"p_value": 0.0,
"fit_residual_plot": "SASDDH7_fit1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDDH7_fit1.fir",
"fit_log": null,
"software_version": null,
"description": null
},
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDDH7_fit2_model1_copy_img.png",
"software": "GROMACS",
"pdb_link": [],
"model_title": null,
"type_of_model": "atomic",
"software_version": null,
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDDH7_fit2_model1_copy.pdb",
"model_mw": 76.72,
"bead_radius": null,
"log": null,
"symmetry": null,
"comment": null,
"user": 317
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDDH7_fit2_fit_img.png",
"software": "CRYSOL",
"chi_square_value": 2.262,
"p_value": 0.0,
"fit_residual_plot": "SASDDH7_fit2_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDDH7_fit2.fit",
"fit_log": null,
"software_version": "2.8.3",
"description": null
}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "5.0",
"i0_calibration_standard": null,
"description": "The protein is a fusion of: i) CitAP - the PAS domain from Sensor histidine kinase, CitA, from Klebsiella pneumoniae; UniProt: P52687 (Amino acid range 45-177); ii) BsLA - the Lipase EstA from Bacillus subtilis 168; UniProt: I6V559 (Amino acid range 32-212) and; iii) A linker connecting CitAP with EstA - derived from the blue light photoreceptor, YtvA, from Bacillus subtilis 168; UniProt: O34627 (Amino acid range 132-147).",
"experiment_description": "Synchrotron SAXS data from solutions of the citrate-binding PAS domain from the sensor histidine kinase, CitA, fused to lipase EstA in 10 mM glycine buffer, 10 mM NaCl, 1 mM sodium citrate, pH 10 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Pilatus 1M detector at a sample-detector distance of 2.8 m and at a wavelength of λ = 0.09919 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 5.01 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": 80.16,
"experimental_mw_error": null,
"guinier_i0_mw": 80.16,
"guinier_i0_mw_error": 0.04,
"porod_mw": null,
"porod_mw_error": null,
"pddf_i0": 80.62,
"pddf_i0_error": null,
"guinier_i0": 80.16,
"guinier_i0_error": 0.04,
"pddf_rg": 3.378,
"pddf_rg_error": null,
"guinier_rg": 3.3,
"guinier_rg_error": 0.01,
"pddf_dmax": 11.74,
"pddf_dmax_error": null,
"porod_volume": null,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 11,
"guinier_point_last": 75,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDDH7_datloglog_img.png",
"symmetry": null,
"last_modified": "2019-12-06T13:07:15.624532+01:00",
"bragg_peak": []
}
