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Título: | Heme Spin Distribution in the Substrate-Free and Inhibited Novel CYP116B5hd: A Multifrequency HYSCORE Study |
Autor: | Chiesa, Mario; Famulari, Antonino; García-Rubio, Inés CSIC ORCID; Gilardi, Gianfranco; Di Nardo, Giovanna; Mitrikas, George; Correddu, Danilo | Fecha de publicación: | 2024 | Editor: | Zenodo | Citación: | Chiesa, M., Famulari, A., Garcia-Rubio, I., Gilardi, G., Di Nardo, G., Mitrikas, G., & Correddu, D. (2024). Heme Spin Distribution in the Substrate-Free and Inhibited Novel CYP116B5hd: A Multifrequency HYSCORE Study [Data set]. Zenodo. https://doi.org/10.5281/zenodo.10535347 | Descripción: | -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). | URI: | http://hdl.handle.net/10261/354591 | DOI: | 10.5281/zenodo.10535347 | Referencias: | Famulari, Antonino; Correddu, Danilo; Di Nardo, Giovanna; Gilardi, Gianfranco; Mitrikas, George; Chiesa, Mario; García-Rubio, Inés. Heme spin distribution in the substrate-free and inhibited novel CYP116B5hd: A multifrequency hyperfine sublevel correlation (HYSCORE) study. https://doi.org/10.3390/molecules29020518. http://hdl.handle.net/10261/354586 |
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Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
PARACAT_WP5_20240112.zip | 6,39 MB | zip | Visualizar/Abrir | |
README.txt | 2,66 kB | Text | Visualizar/Abrir |
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