{
"code": "SASDWS3",
"status": "Published",
"type_of_curve": "Single concentration",
"angular_unit": "1/nm",
"project": {
"title": "The Paulinella\n chromatophore transit peptide part2 adopts a structural fold similar to the γ-glutamyl-cyclotransferase fold",
"publication": {
"title": "The Paulinella\n chromatophore transit peptide part2 adopts a structural fold similar to the γ-glutamyl-cyclotransferase fold",
"author_list": "Klimenko V, Reiners J, Applegate V, Reimann K, Popowicz G, Hoeppner A, Papadopoulos A, Smits S, Nowack E",
"journal": "Plant Physiology",
"doi": "10.1093/plphys/kiaf504",
"pmid": null,
"published_date": "2025 Oct 10"
},
"status": "released",
"submitted_date": "2024-12-04",
"released_date": "2025-10-13"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDWS3.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDWS3.dat",
"intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWS3_dat_img.png",
"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWS3_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDWS3_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDWS3_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDWS3.sascif",
"experiment": {
"instrument": {
"detector": {
"type": "pixel counting",
"name": "Pilatus3 R 300K",
"resolution": 172.0
},
"name": "Center for Structural Studies, Heinrich-Heine-University",
"city": "Düsseldorf",
"country": "Germany",
"beamline_name": "Xenocs Xeuss 2.0 Q-Xoom",
"beam_geometry": null,
"type_of_source": "X-ray in house",
"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": "N-acetyl-gamma-glutamyl-phosphate reductase (ArgC)",
"short_name": "crTPpart2_ArgC+ArgC",
"sequence": "GFSADGAPTQPFVPRKGIDKFVVRPAPVGPFQLVSPGVSEPSTLFLYGEDAYEGEEAWLYGVKLTAEVAVPTGVPGDVLKGKLLRWPSSSVKEKLKAADETYMKEGVKRGVVSVVLQDGSPEQAYWYFQFHKSKPSPKVFIDGEAGTTGLQVRERLSKRCDLELISLTNELRKDPAARRAALNEADVAILCLPDDAAKEAVSLIENDHTVVIDASTAYRVAEGWTYGFPELTPTQAKSLAASKRISNPGCYPTGFISLIRPLVDAGFIPPTAGITVNAVSGYTGGGKALIRIYEEENAEPWGAYGFNLAHKHTPEMAKWSGLTREPIFQPSVGSFPQGMVVSVPLHYDQLNAAGRSGAALHKCLAERYAGSSFVSVRPLNKMDDLERGAFMRPDTLANSNELELSVYANDAKQTAWLVARLDNLGKGASGAAVQNLNLVLGLDERAGLC",
"organism": "Paulinella chromatophora",
"uniprot_code": null,
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "dimer",
"molecular_type": "protein",
"uniprot_sequence": "",
"mw": 48.37,
"total_mw": 96.74,
"number_molecules": 2,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": "No UniProt ID is available so far.\r\nThis sequence was derived from the transcripts (GenBank: GEZN00000000.1, Nowack, E. C. M., Price, D. C., Bhattacharya, D., Singer, A., Melkonian, M. and Grossman, A. R. (2016) Gene transfers from diverse bacteria compensate for reductive genome evolution in the chromatophore of Paulinella chromatophora. Proc. Nati. Acad. Sci. USA, 113, 12214-12219.) \r\n\r\nscaffold7023-size1590, encoding a protein annotated as N-acetyl-gamma-glutamyl-phosphate reductase (ArgC)"
}
],
"buffer": {
"name": "20 mM HEPES, 300 mM NaCl",
"concentration_unit": null,
"comment": null,
"additive": null,
"concentration": null,
"pka": null,
"ph": 8.0,
"deuteration": null
},
"purity_method": null,
"name": "N-acetyl-gamma-glutamyl-phosphate reductase (ArgC)",
"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": "2023-03-10",
"storage_temperature": 10.0,
"cell_temperature": 10.0,
"exposure_time": 600.0,
"number_of_frames": 18,
"wavelength": 0.154,
"sample_detector_distance": 0.55,
"concentration_min": 1.16,
"concentration_max": 10.0,
"sample_volume": null,
"flow_rate": null,
"s_min": 0.14,
"s_max": 4.34,
"total_exposure_time": null,
"seccolumn": null
},
"fits": [
{
"models": [
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDWS3_fit1_model1_img.png",
"software": "EOM/RANCH",
"pdb_link": [],
"model_title": null,
"type_of_model": "mix",
"software_version": "GAJOE - version 2.1 - (r14885)",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDWS3_fit1_model1.pdb",
"model_mw": 96.97,
"bead_radius": 1.9,
"log": "https://www.sasbdb.org/media/log_files/logFile_001_1_lOFfMxl.log",
"symmetry": "P1",
"comment": "Volume fraction (6/9)",
"user": 402
},
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDWS3_fit1_model2_img.png",
"software": "EOM/RANCH",
"pdb_link": [],
"model_title": null,
"type_of_model": "mix",
"software_version": "GAJOE - version 2.1 - (r14885)",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDWS3_fit1_model2.pdb",
"model_mw": 96.97,
"bead_radius": 1.9,
"log": "https://www.sasbdb.org/media/log_files/logFile_001_1_UTirQOV.log",
"symmetry": "P1",
"comment": "Volume fraction (2/9)",
"user": 402
},
{
"model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDWS3_fit1_model3_img.png",
"software": "EOM/RANCH",
"pdb_link": [],
"model_title": null,
"type_of_model": "mix",
"software_version": "GAJOE - version 2.1 - (r14885)",
"model_data": "https://www.sasbdb.org/media/pdb_file/SASDWS3_fit1_model3.pdb",
"model_mw": 96.97,
"bead_radius": 1.9,
"log": "https://www.sasbdb.org/media/log_files/logFile_001_1_5RgsWT4.log",
"symmetry": "P1",
"comment": "Volume fraction (1/9)",
"user": 402
}
],
"fit_unit": "1/A",
"fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDWS3_fit1_fixed_fit_img.png",
"software": "EOM/GAJOE",
"chi_square_value": 1.179,
"p_value": 0.1596,
"fit_residual_plot": "SASDWS3_fit1_fitresiduals_img.png",
"fit_data": "https://www.sasbdb.org/media/fitting_files/SASDWS3_fit1.fit",
"fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/logFile_001_1_O2nfGRG.log",
"software_version": "GAJOE - version 2.1 - (r14885)",
"description": ""
}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "5.0",
"i0_calibration_standard": null,
"description": null,
"experiment_description": "SAXS data from solutions of ArgC in 20 mM HEPES, 300 mM NaCl, pH 8 were collected on a Xenocs Xeuss 2.0 Q-Xoom instrument at the Center for Structural Studies, Heinrich-Heine-University (Düsseldorf, Germany) using a Pilatus3 R 300K detector at a sample-detector distance of 0.6 m and at a wavelength of λ = 0.154 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). Solute concentrations ranging between 1.2 and 10 mg/ml were measured at 10°C. 18 successive 600 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": 96.33,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 106.0,
"porod_mw_error": null,
"pddf_i0": 0.06443,
"pddf_i0_error": null,
"guinier_i0": 0.0647917,
"guinier_i0_error": null,
"pddf_rg": 3.613,
"pddf_rg_error": null,
"guinier_rg": 3.604,
"guinier_rg_error": 0.017,
"pddf_dmax": 13.11,
"pddf_dmax_error": null,
"porod_volume": 170.0,
"porod_volume_error": null,
"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 1,
"guinier_point_last": 39,
"pddf_point_first": null,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDWS3_datloglog_img.png",
"symmetry": null,
"last_modified": "2025-10-13T13:58:35.923755+02:00",
"bragg_peak": []
}