Table 1.
Data collection and refinement statistics
| BIRC2BIR3-H3 | BIRC2BIR3-LCL161 | |
|---|---|---|
| Data collection | ||
| Space group | P1211 | P321 |
| Cell dimensions | ||
| a, b, c (Å) | 33.7, 35.0, 35.6 | 104.7, 104.7, 27.1 |
| α, β, γ (°) | 90.0, 103.9, 90.0 | 90.0, 90.0, 120.0 |
| Resolution (Å) | 1.73 (1.76–1.73)a | 2.4 (2.44–2.4)a |
| Rpim | 2.6 (29.3) | 3.8 (13.0) |
| I/σ(I) | 21.8 (2.0) | 21.0 (5.7) |
| Completeness (%) | 97.0 (77.7) | 100 (100) |
| Redundancy | 4.4 (1.7) | 13.5 (11.1) |
| Refinement | ||
| Resolution (Å) | 1.74 | 2.4 |
| No. reflections | 7,635 | 13,010 |
| Rwork / Rfree | 0.1623 / 0.2060 | 0.1725 / 0.2222 |
| No. atoms | 835 | 807 |
| BIR3 | 744 | 714 |
| H3/LCL161 | 32 | 35 |
| Zn | 1 | 1 |
| EDO | 24 | 3 |
| Water | 34 | 45 |
| B factors (Å2) | 22.7 | 37.6 |
| BIR3 | 22.0 | 37.2 |
| H3/LCL161 | 27.5 | 38.0 |
| Zn | 17.6 | 34.2 |
| EDO | 27.3 | 46.4 |
| Water | 30.9 | 41.3 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.017 | 0.007 |
| Bond angles (°) | 1.39 | 0.922 |
| Ramachandran plot | ||
| Most favored (%) | 95.6 | 97.65 |
| Allowed (%) | 4.4 | 2.35 |
| Outliers (%) | 0 | 0 |
a
Values in parentheses are for highest-resolution shell.