TABLE 1.
X-ray data collection and refinement statistics for HET-C2
Values in parentheses are for the highest resolution shell.
| Parameter | Value |
|---|---|
| Data collection | |
| Wavelength (Å) | 0.9792 |
| Space group | P41212 |
| Unit cell | |
| a, b, c | 96.93, 96.93, 57.91 |
| α, β, γ | 90, 90, 90 |
| Resolution (Å) | 50.0-1.9 (1.97-1.9) |
| Total reflections | 379,083 |
| Unique reflections | 22,551 |
| I/σI | 36.8 (2.9) |
| Completeness (%) | 98.9 (93.9) |
| Redundancy | 8.7 (6.0) |
| Rmerge | 7.2 (35.9) |
| Refinement | |
| R/Rfree | 21.6/24.8 |
| Average B-factor | |
| Protein | 37.9 |
| Water | 43.6 |
| No. of atoms | |
| Protein | 1577 |
| Water | 118 |
| RMSDa | |
| Bond lengths (Å) | 0.016 |
| Bond angles (degrees) | 1.512 |
| Ramachandran statistics (%) | |
| Mostly allowed regions | 95.5 |
| Allowed regions | 4.5 |
| Generously allowed regions | 0.0 |
| Disallowed regions | 0.0 |
a Root mean square deviation.