Supplementary Information for "Biocatalytic Ether Lipid Synthesis by an Archaeal Glycerolprenylase" - Experimental Data

This is the external Supplementary Information for our publication "Biocatalytic Ether Lipid Synthesis by an Archaeal Glycerolprenylase", freely available as a preprint from ChemRxiv (https://doi.org/10.26434/chemrxiv-2024-2lmv8-v2) and as a peer-reviewed publication from Angewandte Chemie (https://doi.org/10.1002/anie.202412597).

The .zip files contain the raw data and metadata for all items (supplementary and main text) as well as the calculation results underlying each figure panel. This includes UV, fluorescence and NMR data. The zip files below also contain the ChimeraX session used to prepare all figure panels, the results of crystallization screens and reports on all MPLC runs used for the purification of pyrophosphate substrates. The NMR data for the synthesized compounds are described in the un-zipped metadata sheet which is separately stored below.

The computational results contributed by Sangwar Wadtey Oung are stored in a separate zenodo entry (https://zenodo.org/doi/10.5281/zenodo.10635216).

This work was enabled by our previous studies on continuous reaction monitoring of phosphate-releasing transformations (https://doi.org/10.1021/acs.analchem.1c05356), which itself builds on principles of spectral unmixing (https://doi.org/10.1002/cbic.202000204), isosbestic normalization (https://doi.org/10.1002/cbic.202200744) and thermodynamic reaction control in enzymatic equilibrium systems (https://doi.org/10.1021/acscatal.1c02589 & https://doi.org/10.1002/anie.202218492 & https://doi.org/10.1002/adsc.201901230).