Investigated was the ligation of two molecules propanal in organic conditions, catalysed by the benzoin aldolase, which was added in the form of lyophillised whole cells. The reaction was performed in triplicate, with 200 mM as the starting concentration of the propanal in all cases. Triethanolamine was chosen as buffer, together with Cyclopentyl methyl ether as the organic solvent, the experiment was performed at 30°C and at a pH of 9. The concentration of propioin was followed over the course of 2 hours.

PyEnzyme, 1.1.0

BioCatHub, 1.0.0

The OMEX EnzymeML archive was created using the web-based electronic lab notebook BioCatHub (https://biocathub.net) and its EnzymeML export implementation. In addition, the appended notebook was used to model the data by utilizing the Python library lmfit in conjunction with PyEnzyme. For an inspection of the data it is advised to use the PyEnzyme library.