Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Data-collection statistics | |
| Space group | P43 |
| Unit-cell parameters | |
| a (Å) | 64.43 |
| b (Å) | 64.43 |
| c (Å) | 198.05 |
| α = β = γ (°) | 90.0 |
| Resolution (Å) | 29.42–2.45 (2.51–2.45) |
| Unique reflections | 29349 (2152) |
| Completeness (%) | 99.8 (99.9) |
| R merge | 0.075 (0.510) |
| 〈I/σ(I)〉 | 16.7 (3.0) |
| Multiplicity | 4.2 (4.2) |
| Model-refinement statistics | |
| No. of reflections | 29349 |
| R cryst (%) | 20.0 |
| R free (%) | 20.8 |
| Non-H atoms | 5132 |
| Water molecules | 68 |
| Average B factor (Å2) | 65.8 |
| Coordinate error† (Å) | 0.47 |
| R.m.s.d. bonds (Å) | 0.008 |
| R.m.s.d. angles (°) | 1.19 |
†
Based on maximum likelihood.