Table 1. Statistics for crystallographic structural determination.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Beamline | BL-17A, Photon Factory |
| Wavelength (Å) | 0.9800 |
| Space group | P21 |
| Unit-cell parameters (Å, °) | a = 111.0, b = 98.5, c = 116.4, β = 92.0 |
| Resolution range (Å) | 49.26–2.40 (2.55–2.40) |
| Unique reflections | 190708 |
| Multiplicity | 3.5 (3.5) |
| Completeness (%) | 99.6 (99.0) |
| R merge † (%) | 9.5 (63.3) |
| R meas (%) | 11.3 (74.7) |
| 〈I/σ(I)〉 | 9.2 (1.9) |
| CC1/2 (%) | 99.5 (74.5) |
| Refinement | |
| Resolution (Å) | 49.3–2.4 |
| R factor/free R factor | 22.4/27.3 |
| B factor (Å2) | 58.6 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 1.02 |
| Ramachandran plot (%) | |
| Favoured regions | 97.8 |
| Allowed regions | 2.2 |
| Outliers | 0 |
†
R
merge = 
, where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations I of reflection hkl.