Table 1. X-ray data collection and refinement statistics.
Data collection | |
Space group | P212121 |
Cell dimensions (Å) | a = 36.77, b = 45.57, c = 82.50 |
Resolution limit (Å) | 45.50–1.98 (2.09–1.98) |
Completeness (%) | 89.7 (92.4) |
Redundancy | 2.8 (3.8) |
Mean I/σI | 11.1 (1.8) |
R merge (%) | 11.2 (50.6) |
Refinement | |
Resolution range (Å) | 30.0-1.98 |
No. of reflections | 8009 |
R work/R free (%) | 18.1/23.3 |
No. of atoms | |
Protein | 1138 |
Zn2+ | 1 |
Water | 34 |
B-factors | |
Protein | 25.90 |
Zn2+ | 35.20 |
Water | 41.99 |
R.m.s. deviations | |
Bond lengths (Å) | 0.024 |
Bond angles (°) | 2.07 |
Values in parentheses are for the highest-resolution shell.