000131565 001__ 131565
000131565 005__ 20240212142201.0
000131565 0247_ $$2doi$$a10.1016/j.dib.2022.108195
000131565 0248_ $$2sideral$$a128730
000131565 037__ $$aART-2022-128730
000131565 041__ $$aeng
000131565 100__ $$0(orcid)0000-0002-5431-2371$$aFamulari, A.$$uUniversidad de Zaragoza
000131565 245__ $$aCYP116B5hd, a self-sufficient P450 cytochrome: A dataset of its electronic and geometrical properties
000131565 260__ $$c2022
000131565 5060_ $$aAccess copy available to the general public$$fUnrestricted
000131565 5203_ $$aThis paper documents the dataset obtained from the Electron Paramagnetic Resonance (EPR) study of the electronic properties of a self-sufficient cytochrome P450, CYP116B5hd, which possesses an interesting catalytic activity for synthetic purposes. In fact, when isolated, its heme domain can act as a peroxygenase on different substrates of biotechnological interest. Raw data shown in Famulari et al. (2022) and supplementary data in raw and processed forms (figures) are documented and available in this paper. Additionally, simulations of the experimental data together with simulation scripts based for EasySpin, a widespread MATLAB toolbox for EPR spectral simulations, are provided. The procedure for g-value analysis based on a crystal-field theory is also detailed here, offering an interesting tool for comparison of FeIII-heme P450 systems. Due to the catalytic interest of the protein, which has been recently discovered, and the correlation that has been reported between g-values and peroxidase function, both, CW-EPR and HYSCORE spectra and data set of the model CYPBM3hd are also provided. Finally, the materials and methods for enzyme production and purification, sample preparation and experimental and spectroscopic procedures a together with instrumental details are described in detail. The data files and simulation scripts can be found in: https://doi.org/10.5281/zenodo.6418626 © 2022
000131565 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E35-20R$$9info:eu-repo/grantAgreement/EC/H2020/813209/EU/Paramagnetic Species in Catalysis Research. A Unified Approach Towards Heterogeneous, Homogeneous and Enzyme Catalysis/PARACAT$$9This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No H2020 813209-PARACAT
000131565 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000131565 592__ $$a0.258$$b2022
000131565 593__ $$aMultidisciplinary$$c2022$$dQ2
000131565 593__ $$aEducation$$c2022$$dQ3
000131565 594__ $$a2.6$$b2022
000131565 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000131565 700__ $$aCorreddu, D.
000131565 700__ $$aNardo, G.D.
000131565 700__ $$aGilardi, G.
000131565 700__ $$aChiesa, M.
000131565 700__ $$0(orcid)0000-0002-1827-1250$$aGarcía-Rubio, I.$$uUniversidad de Zaragoza
000131565 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000131565 773__ $$g42 (2022), 108195 [10 pp.]$$pData brief$$tData in Brief$$x2352-3409
000131565 8564_ $$s995099$$uhttps://zaguan.unizar.es/record/131565/files/texto_completo.pdf$$yVersión publicada
000131565 8564_ $$s1312203$$uhttps://zaguan.unizar.es/record/131565/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000131565 909CO $$ooai:zaguan.unizar.es:131565$$particulos$$pdriver
000131565 951__ $$a2024-02-12-13:56:27
000131565 980__ $$aARTICLE