Table 3.
Structure refinement statistics
| GePTS1 | PsPTS1 | |
|---|---|---|
| PDB code | 6OOC | 6OOD |
| Resolution range (Å) | 39.0–2.6 | 35.3–1.50 |
| R-factor/Rfreea | 0.1969/0.2385 | 0.1624/0.1907 |
| Reflections used, total/free | 26,219/1,315 | |
| Total atoms | ||
| Protein | 7,813 | 1,240 |
| Solvent | 101 | 186 |
| B factors | ||
| Protein (Å2) | 66.9 | 20.6 |
| Solvent (Å2) | 60.5 | 33.3 |
| RMSD from ideality | ||
| Bonds (Å) | 0.009 | 0.005 |
| 1-3 distances (Å) | 1.09 | 0.892 |
| Ramachandran plot | ||
| Residues in preferred regionsb (%) | 92.1 | 96.7 |
| Outliers | 18 | 0 |
| Molprobity score | 2.05c | 1.41d |
a Rfree was calculated with 5% of the reflections.
b As defined in MOLPROBITY (45).
c In the 95th percentile of structures at similar resolution.
d In the 83rd percentile of structures at similar resolution.