Table 1. Data-collection and refinement statistics.
Values in parentheses are for the last shell.
| Neutron (3byc) | X-ray (2gvw) | |
|---|---|---|
| Source | PCS, Los Alamos | |
| Settings | 37 | |
| Space group | P212121 | |
| Unit-cell parameters (Å) | a = 43.4, b = 83.3, c = 87.5 | |
| Resolution (Å) | 10.0–2.2 (2.32–2.20) | |
| Reflections (measured/unique) | 64711/10999 | |
| Redundancy | 5.9 | |
| Completeness (%) | 81.8 (72.9) | |
| Rmerge | 0.199 (0.397) | |
| Wavelength range (Å) | 0.8–4.5 | |
| 〈I/σ(I)〉 | 1.9 (1.8) | |
| Mean(I)/s.d. | 4.0 (2.2) | |
| Refinement (joint refinement) | ||
| Resolution (Å) | 20–2.2 | 20–1.84 |
| No. of reflections | 13829 | 25773 |
| Rcryst/Rfree | 0.264/0.316 | 0.231/0.251 |
| No. of atoms | ||
| Total | 5567 | |
| Protein | 4827 | |
| Ions | 2 | |
| Water | 738 (246 D2O) | |
| B factors (Å2) | ||
| Overall | 25.9 | |
| Protein | 24.2 | |
| Ions | 9.9 | |
| Water | 37.3 | |
| R.m.s.d. | ||
| Bond lengths (Å) | 0.0047 | |
| Bond angles (°) | 1.025 | |
| Ramachandran plot | ||
| Most favoured (%) | 81.8 | |
| Allowed (%) | 17.4 | |
| Generous (%) | 0.8 | |
| Disallowed (%) | 0.0 |