Table 1. Summary of NgbCO structure analysis.

Diffraction data
Wavelength, Å	1.2
Space group	R32
a = b, Å	88.37
c, Å	110.98
Resolution range, Å	20.0-1.70 (1.73-1.70)
Unique reflections	17,586 (880)
Completeness, %	95.9 (97.5)
Redundancy	5.2 (3.2)
Rmerge(overall)*	0.061 (0.226)
〈l〉/〈σ〉†	20.8 (2.94)
Refinement
Rcryst	0.22
Rfree	0.26
No. of protein atoms	1,223
No. of water molecules	116
rms deviation from ideality
Bonds, Å	0.016
Angles, °	2.51
Average B value, Å
All atoms	29.2
Main chain	25.6
Heme	30.8
Side chains and water	32.1

Numbers in parentheses refer to the highest resolution shell.

^*R_merge = Σ_hkl Σ_j|l_j(hkl) — 〈l(hkl)〉|Σ_hkl Σ_j〈l(hkl)〉, with l_j(hkl) representing the intensity of measurement j and 〈l(hkl)〉 the mean of measurements for the reflection hkl.

^†〈l〉/〈σ〉 = ratio between the mean intensity and the mean error of the intensity.