Table 1.
Data collection and refinement statistics. Values in parentheses are for the highest‐resolution shell
| Crystal | EG00086‐bound | Zn2+‐bound |
|---|---|---|
| Data collection | ||
| X‐ray source | Diamond I03 | ESRF ID23‐2 |
| Space group | C2221 | C2221 |
| Cell constants | ||
| a, b, c (Å) | 110.25, 139.52, 106.04 | 99.39, 105.27, 45.75 |
| α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 |
| Resolution (Å) | 67.03–1.95 (2.00–1.95) | 36.13–1.80 (1.84–1.80) |
| Completeness (%) | 99.5 (97.4) | 99.9 (99.8) |
| Multiplicity | 3.4 (3.0) | 4.6 (4.5) |
| R merge | 0.059 (0.223) | 0.052 (0.230) |
| <I/σ(I)> | 10.8 (4.3) | 16.5 (5.4) |
| CC½ | 0.996 (0.944) | 0.997 (0.937) |
| Wilson B factor (Å2) | 23.3 | 21.7 |
| Refinement | ||
| Number of reflections | 59 661 | 22 736 |
| R work/R free | 0.204/0.234 | 0.177/0.217 |
| Mean B value, all atoms (Å2) | 26.0 | 25.5 |
| RMSDs | ||
| Bond lengths (Å) | 0.010 | 0.016 |
| Bond angles (°) | 1.463 | 1.753 |
| Ramachandran plot (%) | ||
| Favoured, allowed, | 96, 4, 0 (chain A) | |
| outliers | 95, 5, 0 (chain B) | 96, 4, 0 |