Concentration Data of the Aldol Reaction Catalyzed by L-threonine Aldolases Measured by In-Line NMR

The dataset contains concentration data from the aldol reaction between benzaldehyde and glycine, catalyzed by L-threonine aldolase, yielding L-threo- and L-erythro-β-phenylserine. Measurements were performed using benchtop NMR and are used for progress curve analysis in the context of a scientific publication. The data are provided as supplementary information to this publication.

Methods for processing the data:
Spectra were processed with PEAXACT 5.7 (baseline subtraction, phase correction, normalization) and analyzed via Complemental Hard Modeling. Resulting concentrations were extracted and organized in Excel format.

Instrument- or software-specific information needed to interpret the data:
Spinsolve 80 Carbon ULTRA (Magritek), PEAXACT 5.7, Python 3.11.9 with SciPy (odeint, differential_evolution)