Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Data set 1 | Data set 2 | |
|---|---|---|
| Wavelength (Å) | 1.54178 | 0.97942 |
| Space group | P6522 or P6122 | P6522 or P6122 |
| Unit-cell parameters (Å, °) | a = b = 54.51, c = 48.05 | a = b = 54.52, c = 48.07 |
| Resolution limit (Å) | 1.61 (1.64–1.61) | 1.40 (1.42–1.40) |
| Mosaicity (°) | 0.4 | 0.3–0.6 |
| Completeness (%) | 99.9 (100.0) | 98.6 (97.7) |
| Unique reflections | 5845 | 8703 |
| Redundancy | 16 (14.3) | 23.6 (20.9) |
| Rmerge† | 0.039 (0.201) | 0.077 (0.653) |
| 〈I/σ(I)〉 | 62.5 (13.8) | 32.1 (7.0) |
R
merge =
.