{ "code": "SASDF32", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/nm", "project": { "title": "Identification of binding sites on human serum albumin for somapacitan - a long-acting growth hormone derivative.", "publication": { "title": "Identification of binding sites on human serum albumin for somapacitan - a long-acting growth hormone derivative.", "author_list": "Johansson E, Nielsen AD, Demuth H, Wiberg C, Schjødt C, Huang T, Chen J, Jensen S, Petersen J, Thygesen P", "journal": "Biochemistry", "doi": "10.1021/acs.biochem.0c00019", "pmid": "32208682", "published_date": "2020 Mar 25" }, "status": "released", "submitted_date": "2019-01-28", "released_date": "2020-03-31" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDF32.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDF32.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF32_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF32_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDF32_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF32_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDF32.sascif", "experiment": { "instrument": { "detector": { "type": "Dectris", "name": "Pilatus 1M", "resolution": 172.0 }, "name": "MAX IV", "city": "Lund", "country": "Sweden", "beamline_name": "I911-4", "beam_geometry": null, "type_of_source": "X-ray synchrotron", "point_source": true, "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": "FcRn binding optimised human serum albumin V418M, T420A, E505G, V547A", "short_name": "HSAopt", "sequence": "DAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQMSAPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAGTFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAAMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL", "organism": "Homo sapiens", "uniprot_code": "P02768", "uniprot_range_first": 25, "uniprot_range_last": 609, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPF\nEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEP\nERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLF\nFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAV\nARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLK\nECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYAR\nRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFE\nQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVV\nLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTL\nSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLV\nAASQAALGL", "mw": 66.373, "total_mw": 66.373, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null }, { "long_name": "neonatal Fc receptor ectodomain beta-microglogulin part with C-terminal His6 tag", "short_name": "FcRn ECD beta", "sequence": "IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDMHHHHHH", "organism": "Homo sapiens", "uniprot_code": "P61768", "uniprot_range_first": 21, "uniprot_range_last": 119, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MANLGCWMLVLFVATWSDLGLCKKRPKPGGWNTGGSRYPGQGSPGGNRYPPQGGGGWGQP\nHGGGWGQPHGGGWGQPHGGGWGQPHGGGWGQGGGTHSQWNKPSKPKTNMKHMAGAAAAGA\nVVGGLGGYMLGSAMSRPIIHFGSDYEDRYYRENMHRYPNQVYYRPMDQYSSQNNFVHDCV\nNITIKQHTVTTTTKGENFTETDVKMMERVVEQMCITQYERESQAYYQRGSSMVLFSSPPV\nILLISFLIFLIVG", "mw": 12.554, "total_mw": 12.554, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null }, { "long_name": "Albumin-binding side-chain", "short_name": null, "sequence": "C53H93N11O20S2", "organism": null, "uniprot_code": null, "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "monomer", "molecular_type": "other", "uniprot_sequence": null, "mw": 1.268, "total_mw": 1.268, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null }, { "long_name": "neonatal Fc receptor ectodomain alpha-chain", "short_name": "FcRn ECD alpha", "sequence": "AESHLSLLYHLTAVSSPAPGTPAFWVSGWLGPQQYLSYNSLRGEAEPCGAWVWENQVSWYWEKETTDLRIKEKLFLEAFKALGGKGPYTLQGLLGCELGPDNTSVPTAKFALNGEEFMNFDLKQGTWGGDWPEALAISQRWQQQDKAANKELTFLLFSCPHRLREHLERGRGNLEWKEPPSMRLKARPSSPGFSVLTCSAFSFYPPELQLRFLRNGLAAGTGQGDFGPNSDGSFHASSSLTVKSGDEHHYCCIVQHAGLAQPLRVELESPAKSS", "organism": "Homo sapiens", "uniprot_code": "P55899", "uniprot_range_first": 24, "uniprot_range_last": 297, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MGVPRPQPWALGLLLFLLPGSLGAESHLSLLYHLTAVSSPAPGTPAFWVSGWLGPQQYLS\nYNSLRGEAEPCGAWVWENQVSWYWEKETTDLRIKEKLFLEAFKALGGKGPYTLQGLLGCE\nLGPDNTSVPTAKFALNGEEFMNFDLKQGTWGGDWPEALAISQRWQQQDKAANKELTFLLF\nSCPHRLREHLERGRGNLEWKEPPSMRLKARPSSPGFSVLTCSAFSFYPPELQLRFLRNGL\nAAGTGQGDFGPNSDGSFHASSSLTVKSGDEHHYCCIVQHAGLAQPLRVELESPAKSSVLV\nVGIVIGVLLLTAAAVGGALLWRRMRSGLPAPWISLRGDDTGVLLPTPGEAQDADLKDVNV\nIPATA", "mw": 30.375, "total_mw": 30.375, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "100 mM MES, 100 mM NaCl", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 6.5, "deuteration": null }, "purity_method": null, "name": "Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the albumin-binding side chain of the human growth hormone derivative somapacitan.", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": "Denmark", "full_name": "Novo Nordisk A/S", "webpage": "https://www.novonordisk.com/" } ], "contributor_name": "Eva", "contributor_surname": "Johansson", "orcid": "" } ], "concentration_method": null, "concentration_unit": null, "date": "2015-11-11", "storage_temperature": null, "cell_temperature": 25.0, "exposure_time": 120.0, "number_of_frames": 1, "wavelength": 0.1, "sample_detector_distance": null, "concentration_min": null, "concentration_max": 5.0, "sample_volume": null, "flow_rate": null, "s_min": 0.068, "s_max": 2.497, "total_exposure_time": null, "seccolumn": null }, "fits": [], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "4.5a", "i0_calibration_standard": null, "description": null, "experiment_description": "Synchrotron SAXS data from solutions of the ternary complex formed between the FcRn ectodomain, FcRn binding-optimised HSA and the albumin-binding side chain of the human growth hormone derivative somapacitan, in 100 mM MES, 100 mM NaCl, pH 6.5 were collected on the I911-4 beam line at MAX IV (Lund, Sweden) using a Pilatus 1M detector at a wavelength of λ = 0.1 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 5.00 mg/ml was measured at 25°C. One 120 second frame was 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": 110.0, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 110.0, "porod_mw_error": null, "pddf_i0": 0.0003155, "pddf_i0_error": null, "guinier_i0": 0.0003155, "guinier_i0_error": null, "pddf_rg": 3.64, "pddf_rg_error": null, "guinier_rg": 3.6, "guinier_rg_error": null, "pddf_dmax": 12.59, "pddf_dmax_error": null, "porod_volume": 174.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 16, "guinier_point_last": 56, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDF32_datloglog_img.png", "symmetry": null, "last_modified": "2020-03-31T16:07:15.585913+02:00", "bragg_peak": [] }