Table 1. Data collection and refinement statistics.
| Data set | TTR I222 |
|---|---|
| Wavelength (Å) | 0.973186 |
| Cell dimensions a, b, c (Å) | 42.3 67.0 83.6 |
| Resolution (Å) | 52.29–1.94 (2.01–1.94)* |
| Reflections (unique) | 8849 (687) |
| Rmerge | 0.073 (0.916) |
| Rpim | 0.030 (0.514) |
| <I /σ(I)> | 13.0 (1.6) |
| <CC(1/2)> | 0.998 (0.396) |
| Completeness (%) | 97.4 (80.5) |
| Redundancy | 7.2 (4.8) |
| Refinement | |
| No. reflections | 8841 |
| Rwork / Rfree | 0.2296 (0.310) / 0.2671(0.347) |
| No. protein / solvent atoms | 896 / 25 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 0.944 |
| Ramachandran plot | |
| Favored /outliers (%) | 96.5 / 0.0 |
| Rotamer outliers (%) / Cβ- outliers | 2.1 / 0 |
| Overall MolProbity score [20] | 1.54 |
*Numbers in parentheses refer to the last resolution shell.