***Data collected for "Asymmetric mono-reduction of α,β-dicarbonyls to α-hydroxy carbonyls by ene reductases"*** 
Authors: Allison E. Wolder, Christian M. Heckmann, Peter-Leon Hagedoorn, Diederik J. Opperman, Caroline E. Paul

Biocatalysis Section, Biotechnology, Applied Sciences, Delft University of Technology

Corresponding author: Caroline E. Paul 

Contact Information: 
c.e.paul@tudelft.nl 

Delft University of Technology, Faculty of Applied Science
van der Maasweg 9
2629 HZ Delft
The Netherlands

***General Introduction*** 
This dataset contains data collected from analysis results (NMR, GC, HPLC) of bioconversions and UV assays and experiments at Delft University of Technology, as part of Allison E. Wolder PhD Thesis project (September 2024): 
It is being made public both to act as supplementary data for publications and the PhD thesis of Allison E. Wolder and in order for other researchers to use this data in their own work. 

The data in this data set was collected in the Biocatalysis Laboratory of the Delft University of Technology - Faculty of Applied Science, between January 2021 and September 2024. This research project was made possible by a grant from European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant n° 949910). C.M.H.: Funded by the European Union (MSCA, grant n° 101062327). 


***Purpose*** 
The purpose of these experiments was to investigate the reduction of vicinal diketones by ene-redutase enzymes, where we screened a variety of substrates on various enzymes. We also explored the mechanism with mechanistic experiments using NMR.

***Test equipment*** 
Nuclear magnetic (NMR) spectroscopy was carried out on an Agilent 400 MHz (9.4 Tesla) spectrometer operating at 399.67 MHz for 1H at 298 K. Spectra were interpreted using the software MestReNova (version 12.0.1 by Mestrelab Research S.L.). Gas chromatography (GC) was performed on Shimadzu GC-2010 gas chromatographs (Shimadzu corporation, Kyoto, Japan). High pressure liquid chromatography (HPLC) was performed on a Shimadzu Prominence (Shimadzu corporation, Kyoto, Japan) reverse phase HPLC equipped with an autosampler (SIL-40a) and diode array detector (SPD-M40 DAD). 


***Description of the data in this data set*** 
The data is organised per datafile type and labelled in reference to the table and figure that is shown in the article. 
NMR data is found in MestReNova file types.
GC and HPLC chromatograms and corresponding data areas, retention times, have been copy/pasted to excel files. Also in these files are the tables, figures derived from this data and used in the manuscript. In many cases the tabs represent the substrate numbering as seen in the article. Chiral refers to Chiral columns used (one substrate could be measured on multiple different columns, both chiral and non-chiral).

