Table 1.
Crystallographic Data Collection and Refinement Statistics (PDB entry 5VYD)
| Data Collectiona | |
| space group | P212121 |
| resolution range (Å) | 20–2.3 |
| highest-resolution shell (Å) | 2.42–2.30 |
| unit cell parameters (Å) | a = 74.7 |
| b = 96.4 | |
| c = 108.6 | |
| total no. of reflections | 425946 |
| no. of unique reflections | 34788 |
| completeness (%) | 98.0 (94.8) |
| CC1/2 | 0.99 (0.93) |
| Rmerge (%) | 12.9 (79.4) |
| I/σ(I) | 12.7 (2.8) |
| redundancy | 12.2 (11.6) |
| Refinement | |
| resolution range (Å) | 20–2.3 |
| no. of reflections used | 34395 |
| Rcryst (%) | 21.6 |
| Rfree (%) | 24.6 |
| no. of protein atoms | 5148 |
| no. of metal atoms | 4 |
| no. of water molecules | 288 |
| root-mean-square deviation for bond lengths (Å) | 0.002 |
| root-mean-square deviation for bond angles (deg) | 0.5 |
| Molprobity score | 1.92 |
a
Values for the highest-resolution shell are given in parentheses.