Table 1. Data-collection statistics.
Values in parentheses are for the outer shell.
| X-ray source | Beamline 7A-SBI, PLS |
| Wavelength (Å) | 0.97951 |
| Unit-cell parameters (Å) | a = 55.1, b = 85.0, c = 167.7 |
| Total rotation (°) | 360 |
| Mosaicity (°) | 1.2 |
| Multiplicity | 12.5 (12.9) |
| Space group | P212121 |
| Resolution (Å) | 50.0–2.3 (2.34–2.30) |
| No. of observations | 386924 (19565) |
| No. of unique observations | 30480 (1494) |
| Completeness (%) | 86.9 (86.3) |
| R merge † (%) | 8.7 (35.1) |
| 〈I/σ(I)〉 | 35.9 (10.5) |
R
merge =
, where I(hkl) is the intensity of reflection hkl,
is the sum over all reflections and
is the sum over i measurements of reflection hkl.