Table 2. Statistics of structure refinement for reduced CcO at neutral pH.

Resolution (Å)	200–1.99
R work † (%)	18.22
R free ‡ (%)	20.24
R.m.s.d.§, bond lengths (Å)	0.0087
R.m.s.d., bond angles (°)	1.259
Average B factors (Å2)
Protein atoms
Molecule A	41.2
Molecule B	52.9
Heavy atoms
Molecule A	31.2
Molecule B	41.8
Lipid and detergents	79.8
Waters	60.8
All atoms	49.4
No. of amino acids
All residues	3614
No. determined	3542
No. with multiple conformation	90

^† R _work is the conventional crystallographic R factor; R _work = , where F _obs and F _calc are the observed and calculated structure factors, respectively. Reflections with F _obs > 0 were included in the refinement.

^‡ R _free is the free R factor for the 5% of reflections that were excluded from the refinement.

^§Root-mean-square deviation.