Table 1.
Data collection and refinement statistics.
| Data collection | SAD data set |
|---|---|
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 61.11, 66.16, 69.62 |
| Wavelength (Å) | 0.978 |
| Resolution (Å) | 37.73–1.98 |
| Rsym | 0.132 (0.415)a |
| I/σI | 16.3 (6.9) |
| Completeness (%) | 100 (100) |
| Redundancy | 14.6 (14.3) |
| Refinement | |
| Resolution (Å) | 37.73–1.98 |
| No. reflections in working set | 19,397 |
| No. reflections in test set | 1044 |
| Rwork/Rfree | 0.16/0.21 |
| No. atoms | |
| Protein | 1970 |
| Zn2+ | 1 |
| Ethylene glycol | 124 |
| Water | 209 |
| B-factors (Å2) | |
| Protein | 16.30 |
| Zn2+ | 7.05 |
| Ethylene glycol | 38.47 |
| Water | 28.39 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.017 |
| Bond angles (˚) | 1.62 |
a
Values in parentheses are for the highest resolution shell.