{"code":"SASDWP9","status":"Published","type_of_curve":"SEC-SAS","angular_unit":"1/nm","project":{"title":"A Novel Biosensor for Ferrous Iron Developed via CoBiSe: A Computational Method for Rapid Biosensor Design","publication":{"title":"A Novel Biosensor for Ferrous Iron Developed via CoBiSe: A Computational Method for Rapid Biosensor Design","author_list":"Papadopoulos A, Anlauf M, Reiners J, Paik S, Krüger A, Lückel B, Bott M, Drepper T, Frunzke J, Gohlke H, Weidtkamp-Peters S, Smits S, Gertzen C","journal":"ACS Sensors","doi":"10.1021/acssensors.5c02481","pmid":null,"published_date":"2026 Jan 11"},"status":"released","submitted_date":"2025-02-26","released_date":"2025-12-11"},"pddf_data":"https://www.sasbdb.org/media/p_of_R_files/SASDWP9.out","intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDWP9.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWP9_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWP9_kratky_img.png","pddf_plot":"https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDWP9_pofr_img.png","intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWP9_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDWP9.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Pilatus3 2M","resolution":0.172},"name":"ESRF","city":"Grenoble","country":"France","beamline_name":"BM29","beam_geometry":"point","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":"Ratiometric matryoshka biosensor for Fe2+","short_name":"MDtxRGA G149","sequence":"MRGSHHHHHHHHHHGMASMTGGQQMGRDLYDDDDKDPGRMKDLVDTTEMYLRTIYELEEEGIVPLRARIAERLEQSGPTVSQTVARMERDGLVHVSPDRSLEMTPEGRSLAIAVMRKHRLAERLLTDIIGLDIHKVHDEACRWEHVMSDEVERRLVEVLDDVHRSPFGNPIPGLGEIGLDQADEPDSGPASHNVYITADKQKNGIKANFTVRHNVEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQTKLSKDPNEKRDHMVLLEFVTAAGITHGMDELYGGTVSKGEENNMAIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEAFQTAKLKVTKGGPLPFTWDILSPQFMYGSKVYIKHPADIPDYFKLSFPEGFRWERVMIFEDGGIIHVNQDSSLQDGVFIYKVKLRGTNFPSDGPVMQKKTMGLEACEERMYPEDGALKSEYKEWLKLKDGGHYAAEVKTTYKAKKPVQLPGAYIVDIKLDIVSHNEDYTIVEQYERAEGRHSTGGMDELYKGGSASQGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATIGKLTLKFISTTGKLPVPWPTLVTTLTYGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGKYKTRAVVKFEGDTLVNRIELKGTDFKEDGNILGHKLEYNFNNPVRAIDLPLGENLKARIVQLNEILQVDLEQFQALTDAGVEIGTEVDIINEQGRVVITHNGSSVELIDDLAHAVRVEKVEG","organism":"synthetic construct","uniprot_code":null,"uniprot_range_first":null,"uniprot_range_last":null,"oligomerization":"monomer","molecular_type":"protein","uniprot_sequence":"","mw":84.189,"total_mw":84.189,"number_molecules":1,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":"The sensor contains different domains:\r\n\r\n- DtxR (ferrous iron binding protein)  from Corynebacterium glutamicum\r\n- superfolder circularly permutated GFP (cpsfGFP (reporter fluorophore) from Aequorea victoria\r\n- LSSmApple (reference fluorophore) from Discosoma sp. \r\n\r\nand is constructed as:\r\n1-39 N-Terminal 10xHis, T7tag, enterokinase site/XpressTag, \r\n40-188 DtxR-N-terminus \r\n189-192 PASH Linker\r\n193-281 cpsfGFP-C-terminus\r\n282-284 GGT Linker\r\n285-519 LSSmApple\r\n520-522 GGS Linker\r\n523-666 cpsfGFP-N-terminus\r\n667-670 FNNP Linker\r\n671-749 DtxR-C-terminus"}],"buffer":{"name":"20 mM MOPS, 250 mM KCl,","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.0,"deuteration":null},"purity_method":null,"name":"Ratiometric matryoshka biosensor for Fe2+ – MDtxRGA_G149","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Düsseldorf, Germany","full_name":"Heinrich Heine University Düsseldorf","webpage":"https://www.uni-duesseldorf.de"}],"contributor_name":"Jens","contributor_surname":"Reiners","orcid":""}],"concentration_method":null,"concentration_unit":null,"date":"2024-11-15","storage_temperature":20.0,"cell_temperature":20.0,"exposure_time":2.0,"number_of_frames":1200,"wavelength":0.099,"sample_detector_distance":2.827,"concentration_min":null,"concentration_max":4.0,"sample_volume":100.0,"flow_rate":0.6,"s_min":0.085,"s_max":2.507,"total_exposure_time":null,"seccolumn":1},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDWP9_fit1_model1_img.png","software":"AlphaFold","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":"3","model_data":"https://www.sasbdb.org/media/pdb_file/SASDWP9_fit1_model1.pdb","model_mw":84.15,"bead_radius":null,"log":"https://www.sasbdb.org/media/log_files/fold_241017_af3_mdtxrga_g149_model_0.log","symmetry":"P1","comment":null,"user":402}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDWP9_fit1_fixed_fit_img.png","software":"CRYSOL","chi_square_value":1.084,"p_value":0.3843,"fit_residual_plot":"SASDWP9_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDWP9_fit1.fit","fit_log":"https://www.sasbdb.org/media/fitting_files/log_files/fold_241017_af3_mdtxrga_g149_model_0.log","software_version":"Version 2.8.3","description":""}],"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 Ratiometric matryoshka biosensor for Fe2+ (MDtxRGA_G149) in 20 mM MOPS, 250 mM KCl, pH 7 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Pilatus3 2M detector at a sample-detector distance of 2.8 m and at a wavelength of λ = 0.099 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). In-line size-exclusion chromatography (SEC) SAS was employed. The SEC parameters were as follows: A 100.00 μl sample at 4 mg/ml was injected at a 0.60 ml/min flow rate onto a GE Superdex 200 Increase 10/300 column at 20°C. 1200 successive 2 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":83.13,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":null,"porod_mw_error":null,"pddf_i0":5.827,"pddf_i0_error":0.042,"guinier_i0":5.83492,"guinier_i0_error":null,"pddf_rg":3.623,"pddf_rg_error":0.03,"guinier_rg":3.55,"guinier_rg_error":0.055,"pddf_dmax":12.37,"pddf_dmax_error":null,"porod_volume":118.25,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":1,"guinier_point_last":58,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDWP9_datloglog_img.png","symmetry":null,"last_modified":"2026-01-21T11:35:46.133284+01:00","bragg_peak":[]}