Table A1.
Data processing and refinement statistics
| Data processing | |
| Wavelength (Å) | 0.95370 |
| Space group | P21 |
| Unit-cell parameters (Å) | a = 34.0, b = 33.3, c = 67.2 |
| Resolution (Å) | 1.55 |
| Total reflections | 104,423 |
| Unique reflections | 42,331 |
| Completeness (%) | 99.4 (98.8) |
| (I/σ(I)) | 15.7 (2.9) |
| Rmerge | 0.055 (0.310) |
| Refinement | |
| No. of molecules in asymmetric unit | 1 |
| No. of atoms | 1450 |
| No. of water molecules | 123 |
| Resolution (Å) | 1.55 |
| Unique reflections | 20,886 |
| rmsd bonds (Å) | 0.013 |
| rmsd angles (°) | 1.59 |
| Isotropic B factor (Å2) | 14.4 |
| Ramachandran plot | |
| Favoured (%) | 95.7 |
| Allowed (%) | 3.7 |
| Rwork | 0.1533 |
| Rfree | 0.1814 |
| PDB code | 4ITC |
| Values in parentheses are for the highest resolution shell | |