Table 1. Data collection, phasing and refinement statistics.
| Zn-Peak (λ=1.2818 Å) | Native (λ=1.0000 Å) | |
|---|---|---|
| Crystallographic data | ||
| Space group | P63 | P63 |
| Cell dimensions | ||
| a=b (Å) | 100.96 | 100.96 |
| c (Å) | 71.54 | 71.57 |
| γ (°) | 120 | 120 |
| Resolution range (Å) | 20.00–2.50 (2.59–2.50) | 50.00–2.10 (2.18–2.10) |
| Observations | 56,941 | 244,320 |
| Unique | 13,866 | 23,796 |
| Rmerge (%) | 0.079 (0.154) | 0.082 (0.300) |
| Completeness (%) | 95.9 (70.8) | 97.7 (80.5) |
| 〈I〉/σ〈I〉 | 11.8 (6.5) | 15.7 (5.1) |
| Phasing statistics | ||
| Resolution range (Å) | 20.00–3.00 | |
| 〈m〉/Z-score from SOLVE | 0.32/28.15 | |
| Heavy atoms found | 10 | |
| Refinement statistics | ||
| Resolution range (Å) | 20.00–2.10 | |
| Protein atoms | 1,985 | |
| Zinc ions | 10 | |
| Water molecules | 109 | |
| R/Rfree | 0.165/0.208 | |
| RMSD bond distances (Å)/angles (°) | 0.016/1.476 | |
| Ramachandran statistics | 92.1%/7.9%/0% | |
| Mean B value (Å2) | 46.52 | |
| Protein Data Bank ID | 3ALR | |
| Values in parentheses are for the highest resolution shell. Ramachandran statistics indicate the fraction of residues in the most favoured, allowed and disallowed regions, respectively. | ||