Table 1. X-ray diffraction data for reduced CcO at neutral pH.
Values in parentheses are for the highest resolution shell.
| Beamline | BL44XU, SPring-8 |
| Oscillation angle (°) | 0.5 |
| Resolution (Å) | 200–1.99 (2.00–1.99) |
| Wavelength (Å) | 0.9 |
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 183.31, b = 205.90, c = 177.53 |
| No. of images | 1019 |
| No. of crystals | 4 |
| Observed reflections | 6110812 |
| Independent reflections | 453960 (11255) |
| Multiplicity | 13.5 (8.0) |
| Completeness (%) | 98.8 (98.8) |
| 〈I/σ(I)〉 | 31.2 (3.15) |
| Wilson B factor (Å2) | 30.94 |
| R merge † (%) | 11 (>100) |
| R p.i.m. ‡ (%) | 2.5 (41.2) |
†
R
merge = 
, where Ii(hkl) is the intensity value of the ith measurement of reflection hkl and 〈I(hkl)〉 is the corresponding mean value of Ii(hkl) for all i measurements. The summation is over reflections with I/σ(I) greater than −3.0.
‡
R
p.i.m. = 
, where N(hkl) is the multiplicity of reflection hkl.