Table 1. X-ray data collection and refinement statistics.
| HyBcl-2-4:HyBak1 BH3 | HyBcl-2-4:HyBax BH3 | |
|---|---|---|
| Data collection | ||
| Space group | P212121 | P21 |
| Cell dimensions | ||
| a, b, c (Å) | 54.07, 73.63, 140.39 | 51.25, 70.23, 72.36 |
| α, β, γ (°) | 90.00 90.00 90.00 | 90.00 97.10 90.00 |
| Wavelength (Å) | 0.9537 | 0.9537 |
| Resolution (Å) | 50.93–2.20 (2.20–2.26) | 71.80–2.00 (2.00–2.05) |
| Rsym or Rmerge | 0.137 (1.56) | 0.148 (1.25) |
| I/σI | 8.6 (1.4) | 3.7 (1.1) |
| Completeness (%) | 99.1 (94.4) | 99.9 (99.9) |
| CC1/2 | 0.99 (0.94) | 0.99 (0.448) |
| Redundancy | 10.8 (10.3) | 3.4 (3.5) |
| Refinement | ||
| No. reflections | 29 183 | 34 338 |
| Rwork/Rfree | 0.222/251 | 0.231/268 |
| Clashscore | 1.67 | 1.63 |
| No. atoms | ||
| Protein | 2867 | 4302 |
| Ligand/water | 3/128 | 1/192 |
| B-factors | ||
| Protein | 52.84 | 41.92 |
| Ligand/ion | 62.50 | 35.46 |
| Water | 49.18 | 37.5 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.003 | 0.007 |
| Bond angles (°) | 0.62 | 0.99 |
Numbers in parentheses are for the highest resolution shell.