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. 2016 Apr 29;11(4):e0152723. doi: 10.1371/journal.pone.0152723

Table 1. Summary of soaking conditions and ligand occupancy for crystals soaked in d-amino acids.

Ligand(s) pdb code Soaking conditions Site 1 ligand Site 2 ligand Site 3 ligand
d-Phe 5E2L 2.5 mM, 24 h d-Phe Water/ions Water/ions
d-Tyr 5E40 1.6 mM final a d-Tyr Water/ions Water/ions
d-Tyr 5E4N 5 mM, 24 h d-Tyr Water/ions d-Tyr
l-Phe, d/l-Trp 5E7Z 0.25 mM l-Phe, 2.5 mM d/l-Trp, 24 h b l-Phe d/l-Trp Water/ions
d-Trp 5E5G 10 mM d-Trp, 24 h d-Trp d-Trp Waters/Ions

a two additions of 0.2 μL of a 10 mM D-Tyr stock solution to a 2 μL drop, 24 hours between first and second addition and 24 hours between second addition and crystal freezing.

b soaked in l-Phe and d-Trp (Acros, 92%ee by HPLC), which resulted in electron density in the Trp site which was modelled as d- and l-Trp at 50% occupancy each.