Heme Spin Distribution in the Substrate-Free and Inhibited Novel CYP116B5hd: A Multifrequency HYSCORE Study

-Data type: Experimental spectroscopic measurements, computer simulations. Files are with filename extensions: .DSC, .DAT, .m Information on origin of the data: EPR spectroscopic measurements with filename extensions .DSC, .DTA and .txt. EPR spectroscopic simulation based on Easyspin with filename e...

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Detalles Bibliográficos
Autores: Chiesa, Mario, Famulari, Antonino, García-Rubio, Inés, Gilardi, Gianfranco, Di Nardo, Giovanna, Mitrikas, George, Correddu, Danilo
Tipo de recurso: conjunto de datos
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/354591
Acceso en línea:http://hdl.handle.net/10261/354591
Access Level:acceso abierto
Descripción
Sumario:-Data type: Experimental spectroscopic measurements, computer simulations. Files are with filename extensions: .DSC, .DAT, .m Information on origin of the data: EPR spectroscopic measurements with filename extensions .DSC, .DTA and .txt. EPR spectroscopic simulation based on Easyspin with filename extension .m. CW and Pulse X-band experiments were performed on a Bruker ELEXSYS E580 X-band spectrometer (microwave frequency 9.68 GHz) equipped with a cylindrical dielectric cavity and a helium gas-flow cryostat from Oxford Inc. Q-band Pulse EPR experiments were performed on a Bruker ELEXSYS E580 spectrometer (microwave frequency 34 GHz) equipped with a continuous helium flow cryostat from Oxford Inc. The magnetic field was measured by means of a Bruker ER035M NMR gaussmeter. ENDOR experiments were carried out with a Bruker ESP 380E spectrometer (X-band) equipped with an EN 4118X-MD4 Bruker resonator. -If the dataset includes multiple files that relate to each other: Files in PARACAT_WP5_20240112_CW folder includes X-band CW-EPR spectroscopic measurements, original data are in .DTA and .DSC formats. Files in PARACAT_WP5_20240112_EDFS folder includes echo detected field sweep (EDFS) spectroscopic measurements, original data are in .DTA and .DSC formats. Files in PARACAT_WP5_20240112_HYSCORE folder includes HYSCORE spectroscopic 2D measurements, original data are in .DTA and .DSC formats. Files in PARACAT_WP5_20240112_ENDOR folder includes ENDOR spectroscopic measurements, original data are in .txt format. Files in PARACAT_WP5_20240112_MATLAB folder includes computer simulations/analyses of the EPR measurements, data are in .m format. -Information on: Specialized abbreviations: EPR – Electron Paramagnetic Resonance, CW – Continuous Wave-EPR, HYSCORE – HYperfine Sublevel CORrelation, ENDOR - Electron Nuclear DOuble Resonance, CYP450 – Cytochrome P450. Definitions of variables: Magnetic field, Temperature. Units of measurement: Gauss (G), milliTesla (mT), Kelvin (K).