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{
"code": "SASDAX8",
"status": "Published",
"type_of_curve": "Merged",
"angular_unit": "1/nm",
"project": {
"title": "Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.",
"publication": {
"title": "Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.",
"author_list": "Drebes J, Künz M, Windshügel B, Kikhney AG, Müller IB, Eberle RJ, Oberthür D, Cang H, Svergun DI, Perbandt M, Betzel C, Wrenger C",
"journal": "Sci Rep",
"doi": "10.1038/srep22871",
"pmid": "26960569",
"published_date": "2016 Mar 10"
},
"status": "released",
"submitted_date": "2015-07-09",
"released_date": "2016-03-10"
},
"pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDAX8.out",
"intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDAX8.dat",
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"intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAX8_kratky_img.png",
"pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDAX8_pofr_img.png",
"intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAX8_guinier_img.png",
"sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDAX8.sascif",
"experiment": {
"instrument": {
"detector": {
"type": "Custom-built",
"name": "Pilatus 1M-W",
"resolution": 0.172
},
"name": "DORIS III, DESY",
"city": "Hamburg",
"country": "Germany",
"beamline_name": "EMBL X33",
"beam_geometry": "0.60",
"type_of_source": "X-ray synchrotron",
"point_source": null,
"line_collimation": null,
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"line_collimation_slitlength": null,
"line_collimation_integrationwidth": null,
"xray_energy": null,
"beam_profile_ah": null,
"beam_profile_al": null
},
"sample": {
"molecule": [
{
"long_name": "Ribokinase ThiM",
"short_name": "ThiM",
"sequence": "MNYLNNIRIENPLTICYTNDVVKNFTANGLLSIGASPAMSEAPEEAEEFYKVAQALLINIGTLTAQNEQDIIAIAQTANE\r\nAGLPIVFDPVAVGASTYRKQFCKLLLKSAKVSVIKGNASEILALIDDTATMKGTDSDANLDAVTIAKKAYAIYKTAIVIT\r\nGKEDVIVQGDKAIVLANGSPLLARVTGAGCLLGGIIAGFLFRETEPDIEALIEAVSVFNIAAEVAAENENCGGPGTFSPL\r\nLLDTLYHLNETTYQQRIRIQEVEenlyfqsghhhhhh",
"organism": "Staphylococcus aureus",
"uniprot_code": null,
"uniprot_range_first": null,
"uniprot_range_last": null,
"oligomerization": "trimer",
"molecular_type": "protein",
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"mw": 29.8,
"total_mw": 89.4,
"number_molecules": 3,
"complex_state": false,
"deuteration": null,
"molecule_source": "biological",
"molecule_description": null
}
],
"buffer": {
"name": "50 mM Potassium phosphate 10 mM MgCl2",
"concentration_unit": "mM",
"comment": null,
"additive": "10 mM MgCl2",
"concentration": 50.0,
"pka": null,
"ph": 7.5,
"deuteration": null
},
"purity_method": null,
"name": "Ribokinase ThiM",
"ext_coefficient": null,
"contrast": null,
"specific_vol": null,
"dry_vol": null,
"absorbption": null,
"deuteration": null,
"mixture": false
},
"contributor": [
{
"affiliation": [
{
"short_name": "EMBL-Hamburg",
"address": "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany",
"full_name": "European Molecular Biology Laboratory (EMBL) - Hamburg outstation",
"webpage": "http://www.embl-hamburg.de/index.php"
}
],
"contributor_name": "Al",
"contributor_surname": "Kikhney",
"orcid": "https://orcid.org/0000-0003-1321-3956"
}
],
"concentration_method": null,
"concentration_unit": "mg/ml",
"date": "2010-11-19",
"storage_temperature": null,
"cell_temperature": 12.0,
"exposure_time": 15.0,
"number_of_frames": 8,
"wavelength": 0.15,
"sample_detector_distance": 2.7,
"concentration_min": 1.33,
"concentration_max": 9.85,
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"flow_rate": null,
"s_min": 0.182,
"s_max": 6.016,
"total_exposure_time": 120.0,
"seccolumn": null
},
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"pdb_code": "5cm5",
"ext_code": "5CM5",
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"difference_with_model": "derived"
}
],
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"bead_radius": null,
"log": "https://www.sasbdb.org/media/log_files/thimc4.log",
"symmetry": "P3",
"comment": "",
"user": 4
}
],
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},
{
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"software": "DAMMIF",
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"type_of_model": "dummy",
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}
],
"fit_unit": "1/A",
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}
],
"estimated_volume_method": null,
"pddf_software": "ATSAS GNOM",
"pddf_software_version": "GNOM 5.0",
"i0_calibration_standard": null,
"description": null,
"experiment_description": null,
"tags": [
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],
"intensity_unit": null,
"experimental_mw": 77.0,
"experimental_mw_error": null,
"guinier_i0_mw": null,
"guinier_i0_mw_error": null,
"porod_mw": 90.66,
"porod_mw_error": null,
"pddf_i0": null,
"pddf_i0_error": null,
"guinier_i0": 47.26,
"guinier_i0_error": null,
"pddf_rg": 2.866,
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"guinier_rg": 2.972,
"guinier_rg_error": 0.198,
"pddf_dmax": 9.0,
"pddf_dmax_error": null,
"porod_volume": 145.06,
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"estimated_volume": null,
"estimated_volume_error": null,
"guinier_point_first": 32,
"guinier_point_last": 95,
"pddf_point_first": 40,
"pddf_point_last": null,
"i0_calibration_standard_data": null,
"intensities_log_log_plot": "SASDAX8_datloglog_img.png",
"symmetry": null,
"last_modified": "2023-05-25T11:21:52.654103+02:00",
"bragg_peak": []
}
