Table 3.

Characteristics of O₂ molecules in O₂-derivatized MBH

O2 position	Close environment (distance < 4 Å)	$\mathit{F}{\mathit{o}}^{{\mathit{O}}_2}-\mathit{F}{\mathit{o}}^{\mathbf{reference}}$ peak [σ (contour level)]	Occupancy, %	Atomic displacement factor of O2 atoms, Å2	Real space correlation coefficient
1	W130L, V280L, I283L, G284L, T473L	14.94	100	O1: 29.61	0.98
				O2: 27.98
2	M30L, C32L, V46L, F569L, E570L, L573L, L591L	8.41	50	O1: 26.91	0.93
				O2: 28.21
3	A127L, L128L, V131L, A202 L, Y206L	11.42	62	O1: 29.99	0.96
				O2: 28.47
4	S21S, E22S, I25S, T47S	3.69	56	O1: 30.72	0.91
				O2: 30.92
5	K33S, V36S, L37S, L207L	<4	<40	O1: 31.35
				O2: 26.92
6	L150L, I449L	<5	<40	O1: 37.63
				O2: 34.59
7	L438L, S441L, A442L, L462L, L465L, L474L	<3	<40	O1: 21.90
				O2: 18.34