{ "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": [] }