Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| X-ray wavelength (Å) | 1.0629 |
| Detector | ADSC Quantum 270 CCD detector |
| No. of crystals | 1 |
| Crystal-to-detector distance (mm) | 240 |
| Rotation range per frame (°) | 1 |
| Total rotation range (°) | 300 |
| Space group | P21 |
| Unit-cell parameters (Å, °) | a = 59.30, b = 178.56, c = 109.23, β = 102.97 |
| Resolution range (Å) | 50–2.61 (2.70–2.61) |
| Total/unique reflections | 420103/66140 |
| Completeness (%) | 100 (100) |
| Mean I/σ(I) | 36.2 (5.4) |
| Rmerge† (%) | 8.0 (37.3) |
| Mosaicity (°) | 0.3 |
| Multiplicity | 6.4 (6.3) |
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.