Table 1.
Data collection, phasing, and refinement statistics.
| Albireti toxin (AT) | Peptono toxin (PT) | |
|---|---|---|
| Data collection | ||
| Space group | P21212 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 106.95, 137.08, 203.51 | 77.65, 82.46, 91.82 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 60.8–2.69 (2.696–2.687)a | 48.14–2.19 (2.192–2.185) |
| Rmerge | 18.9 (143.5) | 11.8 (58.7) |
| Rpim | 5.2 (38.3) | 3.5 (35.3) |
| I/σI | 10.9 (2.1) | 16.4 (1.9) |
| Completeness (%) | 99.9 (100.0) | 92.7 (54.0) |
| Redundancy | 13.9 (14.8) | 11.5 (3.3) |
| CC1/2 | 99.8 (83.3) | 99.6 (66.3) |
| Wilson B-factor | 49.43 | 28.59 |
| Refinement | ||
| Resolution (Å) | 2.69 | 2.19 |
| No. of reflections | 83,614 (8257) | 28,814 (1832) |
| Rwork/Rfree | 20.24/24.75 | 20.15/22.50 |
| No. of atoms | 18,286 | 5080 |
| Protein | 17,703 | 4662 |
| Ligand/ion | 156 | 26 |
| Water | 511 | 392 |
| B-factors | 52.13 | 33.38 |
| Protein | 52.48 | 33.08 |
| Ligand/ion | 56.56 | 61.03 |
| Water | 39.61 | 35.15 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.006 | 0.002 |
| Bond angles (°) | 0.79 | 0.50 |
aValues in parentheses are for the highest-resolution shell.