Table 1. Data-collection and refinement statistics for TtECH (PDB entry 1uiy).
Values in parentheses are for the outer shell.
| Data collection and processing | |
| Diffraction source | BL44B2, SPring-8 |
| Detector | CCD, MAR Research |
| Wavelength (Å) | 0.980 [12651 eV] |
| Temperature (K) | 100 |
| Space group | R32 |
| a, b, c (Å) | 131.23, 131.23, 110.61 |
| α, β, γ (°) | 90, 90, 120 |
| R merge (%) | 6.8 (45.2) |
| Resolution range (Å) | 40–2.85 (2.98–2.85) |
| No. of unique reflections | 14983 (1684) |
| Completeness (%) | 95.0 (86.2) |
| Multiplicity | 7.69 (5.00) |
| 〈I/σ(I)〉 | 13.2 (5.7) |
| Mosaicity (°) | 0.7 |
| Structure refinement | |
| Refinement program | CNS 1.1 |
| Resolution range (Å) | 40–2.85 |
| R/R free (%) | 20.3/26.7 |
| No. of non-H atoms | |
| Protein | 1907 |
| Ligand | 18 |
| Water | 72 |
| Mean B factor (Å2) | |
| Overall | 58.1 |
| Main chain | 57.2 |
| Side chains | 57.2 |
| R.m.s.d., bond lengths (Å) | 0.005 |
| R.m.s.d., angles (°) | 1.2 |
| Ramachandran plot | |
| Most favoured (%) | 87.1 |
| Additionally allowed (%) | 12.4 |
| Generously allowed (%) | 0.5 |