Table 1. Data-collection and refinement statistics for the joint neutron/X-ray Glu166Gln Toho-1 structure.
| Neutron | X-ray | |
|---|---|---|
| Space group | P3221 | |
| a, b, c (Å) | 73.54, 73.54, 99.72 | |
| α, β, γ (°) | 90, 90, 120 | |
| Resolution range (Å) | 14.42–1.89 (1.96–1.89) | 30.34–1.90 (1.94–1.90) |
| Total No. of reflections | 111496 | 133121 |
| No. of unique reflections | 24170 | 25146 |
| Completeness (%) | 95.68 (85.61) | 100.00 (100.00) |
| Multiplicity | 4.61 (3.11) | 5.30 (5.20) |
| 〈I/σ(I)〉 | 8.40 (2.70) | 11.4 (2.30) |
| CC1/2 | 94.60 (46.90) | 99.50 (63.50) |
| R p.i.m. (%) | 9.30 (20.50) | 7.00 (44.70) |
| R factor (%) | 24.49 | 14.62 |
| R free (%) | 26.22 | 17.52 |
| R.m.s.d., bond lengths (Å) | 0.013 | |
| R.m.s.d., bond angles (°) | 1.23 | |
| Ramachandran plot | ||
| Favored regions (%) | 97.68 | |
| Allowed regions (%) | 1.93 | |
| Outliers (%) | 0.39 | |