Table 1. X-ray data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Oxy HbII–III | Cyano HbII–III | |
|---|---|---|
| Wavelength (Å) | 0.886 | 0.886 |
| Space group | P42212 | P42212 |
| Unit-cell parameters (Å) | a = b = 74.07, c = 152.07 | a = b = 73.83, c = 152.49 |
| Resolution range (Å) | 20.0–2.15 (2.23–2.15) | 20.0–2.20 (2.28–2.20) |
| Observed reflections | 253034 | 165962 |
| Independent reflections | 23941 | 22319 |
| Data completeness (%) | 99.4 (100.0) | 92.2 (89.2) |
| Rmerge† (%) | 7.0 (36.7) | 7.7 (32.9) |
| Average I/σ(I) | 27.8 (6.9) | 20.9 (5.9) |
| Redundancy | 10.7 (10.9) | 8.1 (7.4) |
| Mosaicity | 0.45 | 0.69 |
| Molecules per ASU | 2 | 2 |
| Matthews coefficient (Å3 Da−1) | 3.08 | 3.06 |
| Solvent content (%) | 60.01 | 59.85 |
†
R
merge = 
, where I
i(hkl) is the ith measurement of reflection hkl and 〈I(hkl)〉 is the weighted mean of all measurements.