Table 4. Refinement statistics for data collected at 7132 eV.
| Parameter | Value |
|---|---|
| Resolution range (Å) | |
| Overall | 62.0–1.9 |
| Outer shell | 2.0–1.9 |
| Reflections | |
| Working set | 32249 |
| Test set | 1668 |
| R/Rfree (%) | 17.4/20.4 |
| Number of: | |
| Protein atoms | 2511 |
| Water molecules | 241 |
| Metal ions | 2 |
| Ethylene glycol molecules | 2 |
| Root mean square deviation from target bonds | |
| Lengths (Å) | 0.015 |
| Bonds (°) | 1.394 |
| B-factors (Å2) | |
| Main chain | 19.6 |
| Side chain | 22.0 |
| Metals | 24.4 |
| Waters | 32.1 |
| Ramachandran plot (%) | |
| Most favoured region | 89.7 |
| Additionally allowed | 9.9 |
| Generously allowed | 0.4 |
| Disallowed | 0 |