Table 2. Data collection and refinement statistics.
| T790M + Ibrutinib* | |
|---|---|
| Data collection** | |
| Space group | C2 |
| Cell dimensions | |
| a, b, c (Å) | 168.2, 74.4, 120.5 |
| (°) | 90.0, 118.3, 90.0 |
| Resolution (Å) | 50.0–1.95 (2.02–1.95) |
| Rpim | 0.095 (0.450) |
| I/I | 7.9 (2.3) |
| Completeness (%) | 99.6 (99.8) |
| Redundancy | 3.2 (3.2) |
| Refinement | |
| Resolution (Å) | 41.6–1.95 |
| No. reflections | 94949 |
| Rwork/Rfree | 0.200/0.221 |
| No. atoms | |
| Protein | 9690 |
| Ligand/ion | 156 |
| Water | 950 |
| B-factors | |
| Protein | 28.4 |
| Ligand/ion | 24.0 |
| Water | 37.7 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.010 |
| Bond angles (°) | 1.403 |
| PDB ID | 4YNJ |
*
One crystal was used to collect data for determination of this structure.
**
Values in parentheses are for highest-resolution shell.