Table 1. Data collection and crystallographic refinement statistics.
Values in parentheses refer to the highest resolution shell, 2.69–2.60 Å, in the data. Refinement and stereochemical statistics were compiled using the CNS program suite, version 1.0 [19] or PROCHECK, version 3.3 [20].
| Parameter | Value |
|---|---|
| Data collection | |
| Space group | I222 |
| Cell dimensions (Å) | a=82.43, b=103.65, c=138.72 |
| Resolution range (Å) | 99.0–2.60 (2.69–2.6) |
| Number of unique reflections | 18260 (1742) |
| Percentage data completeness | 98.0 (95.7) |
| Average multiplicity | 8.5 (4.0) |
| Rsym | 0.102 (0.854) |
| Mean I/σ(I) | 32.5 (2.0) |
| Crystallographic refinement | |
| Rwork | 0.219 |
| Rfree | 0.279 |
| Average B-factor from Wilson plot (Å2) | 52.8 |
| Estimated coordinate error from Luzzati plot (Å) | 0.34 |
| rmsd from ideal values | |
| Bond lengths (Å) | 0.01 |
| Bond angles (°) | 1.8 |
| Dihedral angles (°) | 27.5 |
| Improper angles (°) | 1.2 |
| Ramachandran plot values (%) | |
| Most favoured regions | 75.7 |
| Additional allowed regions | 19.3 |
| Generously allowed regions | 4.0 |
| Disallowed regions | 1.1 |