Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Space group | P212121 |
| Unit-cell parameters | |
| a (Å) | 55.6 |
| b (Å) | 113.7 |
| c (Å) | 117.3 |
| α = β = γ (°) | 90.0 |
| Resolution (Å) | 30.0–2.9 (3.00–2.90) |
| Unique reflections | 17074 |
| Redundancy | 5.3 (5.3) |
| Completeness (%) | 100.0 (100) |
| 〈I/σ(I)〉 | 27.6 (6.5) |
| Rsym† (%) | 10.2 (39.3) |
R
sym =
, where I(h) is the intensity of reflection h,
is the sum over all reflections and
is the sum over i measurements of reflection h.