Table 1.
Summary of crystallographic analysis.
| Native | SeMet (peak) | |
|---|---|---|
| Data collection | ||
| Wavelength (Å) | 0.9600 | 0.9792 |
| Space group | P212121 | P212121 |
| Cell dimensions (Å) | ||
| a, b, c (Å) | 59.7, 98.5, 127.5 | 142.4, 142.4, 187.7 |
| Resolution (Å) | 50.0–2.30 (2.38–2.30) | 50.0–2.70 (2.80–2.70) |
| Rsym (%) | 8.9 (46.3) | 22.2 (92.5) |
| I/σI | 30.5 (6.3) | 12.9 (3.8) |
| Completeness (%) | 99.9 (99.9) | 100.0 (99.9) |
| Redundancy | 14.4 (14.4) | 13.9 (11.8) |
| SAD Analysis | ||
| rms FH/e | 0.83 | |
| Mean figure of merit before DM | 0.43 | |
| Mean figure of merit after DM | 0.54 | |
| Refinement | ||
| Resolution (Å) | 50.0–2.30 | |
| No. of reflections (|F|> 0σ) | 32,570 | |
| R-factor/Rfree | 20.7/25.6 | |
| Total protein atoms | 5410 | |
| Water molecules | 159 | |
| B-factors (Å2) | ||
| Protein | 48.2 | |
| Water | 48.6 | |
| rmsd | ||
| Bond lengths (Å) | 0.011 | |
| Bond angles (°) | 1.144 | |
| Ramachandran (%) | ||
| Within favored | 97.7 | |
| Within allowed | 100.0 | |
| Outliers | 0 |
Values in parentheses are for the highest-resolution shell.