Table 1. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| Beamline | BW6 (MPG/DESY, Hamburg, Germany) |
| Space group | P21 |
| Unit-cell parameters (Å, °) | a = 38.43, b = 38.36, c = 62.00, β = 101.47 |
| Data-collection temperature (K) | 100 |
| Wavelength (Å) | 1.05 |
| Total No. of observations | 82823 |
| Resolution range (Å) | 60–1.5 (1.53–1.5) |
| Mosaicity (°) | 0.5 |
| Redundancy | 2.91 (2.87) |
| Unique reflections | 28430 (1428) |
| Completeness (%) | 99.3 (99.7) |
| Mean I/σ(I) | 21.2 (2.24) |
| Rmerge† | 0.054 (0.47) |
R
merge =
.