ACE	N-terminal acetyl capping group
Chl	Chlorophyll
DFT	Density functional theory
EDTA	Ethylenediaminetetraacetic acid
EPR	Electron paramagnetic resonance
FTIR	Fourier-transform infrared spectroscopy
MES	2-(N-morpholino)ethanesulfonic acid
Ni-NTA	Nickel–nitrilotriacetic acid
NMA	C-terminal N-methylamide capping group
OEC	Oxygen-evolving complex
P680	Primary electron donor chlorophyll a pigment cluster in PSII
PCC	Pasteur Culture Collection
PDB	Protein Data Bank
PIPBS	Piperazine-N,N′-bis(2-ethanesulfonic acid)
PPBQ	2-phenyl-1,4-benzoquinone
PSII	Photosystem II
QM/MM	Quantum mechanics/molecular mechanics
$Q_A$	Primary quinone electron acceptor of PSII
$Q_B$	Secondary quinone electron acceptor of PSII
WT	Wild type
Yz	Redox-active tyrosine residue D1-Tyr161 of PSII