Table 1.
Crystallographic data
| Resolution limit | 1.2 Å |
| Number of reflections | |
| Measured | 2,333,719 |
| Unique | 111,373 |
| Reflections, F > 4 σ | 93,339 |
| Completeness | |
| All data | 96% |
| Highest resolution shell (1.21–1.17 Å) | 73% |
| Rsym* (on I) | 0.040 |
| 〈I/Sigma (I)〉 overall | 25.0 |
| Refinement | |
| Resolution | ∞ − 1.17 Å |
| R factor (no cutoff) | 0.115 |
| R free (no cutoff) | 0.154 |
| Data in test set | 5,560 |
| Nonhydrogen atoms | 3,337 |
| rms | |
| Bond lengths (Å) | 0.015 |
| Angle distances (Å) | 0.030 |
| Average B(iso) of ligand | 33.3 Å2 |
*
Rsym = Σ|Iobs − 〈I〉|/Σ 〈I〉.