Table 1. Refinement statistics.
| Resolution range (Å) | 25.0–2.1 |
| No. of molecules in asymmetric unit | 2 |
| Rwork† (%) | 20.9 |
| Rfree‡ (%) | 24.6 |
| R.m.s.d. bond lengths (Å) | 0.02 |
| R.m.s.d. bond angles (°) | 1.6 |
| No. of reflections | 22725 |
| Ramachandran parameters | |
| Residues in most favoured region (%) | 84.2 |
| Residues in allowed region (%) | 14.2 |
| Residues in generously allowed region (%) | 1.6 |
| Residues in disallowed region (%) | 0.0 |
| No. of non-H atoms used in refinement | |
| Protein atoms | 3504 |
| Heterogen atoms | 6 |
| Solvent atoms | 182 |
| Average B factors (Å2) | |
| Protein atoms | 15.91 |
| Heterogen atoms | 19.35 |
| Solvent atoms | 21.13 |
R
work =
for the 89.8% of the reflection data that were used in refinement.
R
free =
for the remaining 10.2% of the reflection data that were not used in refinement.