{
"code": "SASDUX4",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/nm",
"project": {
"title": "Ligand‐induced CaMKIIα\n hub Trp403 flip, hub domain stacking, and modulation of kinase activity",
"publication": {
"title": "Ligand‐induced CaMKIIα\n hub Trp403 flip, hub domain stacking, and modulation of kinase activity",
"author_list": "Narayanan D, Larsen A, Gauger S, Adafia R, Hammershøi R, Hamborg L, Bruus‐Jensen J, Griem‐Krey N, Gee C, Frølund B, Stratton M, Kuriyan J, Kastrup J, Langkilde A, Wellendorph P, Solbak S",
"journal": "Protein Science",
"doi": "10.1002/pro.5152",
"pmid": null,
"published_date": "2024 Sep 14"
},
"status": "released",
"submitted_date": "2024-03-18",
"released_date": "2024-09-18"
},
"pddf_data": null,
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDUX4.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUX4_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUX4_kratky_img.png",
"pddf_plot": null,
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDUX4_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDUX4.sascif",
"experiment": {
"instrument": {
"detector": {
"type": null,
"name": "Pilatus 6M",
"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": "Calcium/calmodulin-dependent protein kinase type II subunit alpha",
"short_name": "CaMKIIα WT hub",
"sequence": "GPHMVRKQEIIKVTEQLIEAISNGDFESYTKMCDPGMTAFEPEALGNLVEGLDFHRFYFENLWSRNSKPVHTTILNPHIHLMGDESACIAYIRITQYLDAGGIPRTAQSEETRVWHRRDGKWQIVHFHRSGAPSV",
"organism": "Homo sapiens",
"uniprot_code": "Q9UQM7",
"uniprot_range_first": 345,
"uniprot_range_last": 475,
"oligomerization": "dodecamer",
"molecular_type": "protein",
"uniprot_sequence": "MATITCTRFTEEYQLFEELGKGAFSVVRRCVKVLAGQEYAAKIINTKKLSARDHQKLERE\nARICRLLKHPNIVRLHDSISEEGHHYLIFDLVTGGELFEDIVAREYYSEADASHCIQQIL\nEAVLHCHQMGVVHRDLKPENLLLASKLKGAAVKLADFGLAIEVEGEQQAWFGFAGTPGYL\nSPEVLRKDPYGKPVDLWACGVILYILLVGYPPFWDEDQHRLYQQIKAGAYDFPSPEWDTV\nTPEAKDLINKMLTINPSKRITAAEALKHPWISHRSTVASCMHRQETVDCLKKFNARRKLK\nGAILTTMLATRNFSGGKSGGNKKSDGVKESSESTNTTIEDEDTKVRKQEIIKVTEQLIEA\nISNGDFESYTKMCDPGMTAFEPEALGNLVEGLDFHRFYFENLWSRNSKPVHTTILNPHIH\nLMGDESACIAYIRITQYLDAGGIPRTAQSEETRVWHRRDGKWQIVHFHRSGAPSVLPH",
"mw": 15.477,
"total_mw": 185.724,
"number_molecules": 12,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": "The protein construct used for SAXS contains an additional four non-native amino acids at the N-terminus (GPHM)."
},
{
"long_name": "5-hydroxydiclofenac",
"short_name": "5-HDC",
"sequence": "C14H11Cl2NO3",
"organism": null,
"uniprot_code": null,
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "monomer",
"molecular_type": "other",
"uniprot_sequence": "",
"mw": 0.312,
"total_mw": 0.312,
"number_molecules": 1,
"complex_state": false,
"deuteration": null,
"molecule_source": "synthetic",
"molecule_description": "https://pubchem.ncbi.nlm.nih.gov/compound/5-Hydroxydiclofenac"
}
],
"buffer": {
"name": "20 mM MES, 150 mM NaCl, 1 mM DTT, 100 µM 5-HDC",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 6.0,
"deuteration": null
},
"purity_method": null,
"name": "Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with 5-HDC",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": null
},
"contributor": [
{
"affiliation": [
{
"short_name": null,
"address": "Copenhagen, Denmark",
"full_name": "University of Copenhagen",
"webpage": "http://www.ku.dk/"
}
],
"contributor_name": "Annette",
"contributor_surname": "Langkilde",
"orcid": ""
}
],
"concentration_method": null,
"concentration_unit": null,
"date": "2022-10-03",
"storage_temperature": 20.0,
"cell_temperature": 20.0,
"exposure_time": 0.09,
"number_of_frames": 40,
"wavelength": 0.124,
"sample_detector_distance": 3.0,
"concentration_min": null,
"concentration_max": 3.4,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.07,
"s_max": 5.003,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [],
"estimated_volume_method": null,
"pddf_software": null,
"pddf_software_version": null,
"i0_calibration_standard": null,
"description": "These data were collected for comparison with the CaMKIIa WT hub without ligand. \r\n\r\n5-HDC: https://pubchem.ncbi.nlm.nih.gov/compound/5-Hydroxydiclofenac",
"experiment_description": "Synchrotron SAXS data from solutions of calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with 5-HDC in 20 mM MES, 150 mM NaCl, 1 mM DTT, 100 µM 5-HDC, pH 6 were collected on the EMBL P12 beam line at PETRA III (DESY; Hamburg, Germany) using a Pilatus 6M detector at a sample-detector distance of 3 m and at a wavelength of λ = 0.124 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 3.40 mg/ml was measured at 20°C. 40 successive 0.090 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": "1/cm",
"experimental_mw": 208.0,
"experimental_mw_error": null,
"guinier_i0_mw": 208.0,
"guinier_i0_mw_error": null,
"porod_mw": 233.0,
"porod_mw_error": null,
"pddf_i0": null,
"pddf_i0_error": null,
"guinier_i0": 0.116534,
"guinier_i0_error": null,
"pddf_rg": null,
"pddf_rg_error": null,
"guinier_rg": 4.5,
"guinier_rg_error": 0.015,
"pddf_dmax": 17.5,
"pddf_dmax_error": null,
"porod_volume": 372.0,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 33,
"guinier_point_last": 79,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDUX4_datloglog_img.png",
"symmetry": null,
"last_modified": "2024-09-18T12:55:09.294417+02:00",
"bragg_peak": []
}