Table 1. Data collection and refinement statistics on PlaF.
| X-ray data | |
|---|---|
| Beamline/detector | ID29, ESRF (Grenoble, France)/DECTRIS PILATUS 6M |
| Wavelength (Å)/monochromator | λ=0.96863/channel-cut silicon monochromator, Si (111) |
| Resolution range (Å) | 47.33–2.0 (2.05–2.0)* |
| Space group | I 41 2 2 |
| Unit cell (a=b), c (Å); α=β=γ | a=133.87 c=212.36; 90° |
| Total reflections | 669,964 (47,385) |
| Unique reflections | 65,113 (4527) |
| Multiplicity | 10.3 (10.5) |
| Completeness (%) | 100.0 (100.0) |
| Mean I/sigma (I) | 24.6 (2.5) |
| Wilson B-factor (Å2) | 38.3 |
| R-merge (%) | 5.3 (91.3) |
| R-meas (%) | 5.6 (100.6) |
| Refinement | |
| R-work (%) | 16.3 (23.15) (2.071–2.0)* |
| R-free (%) | 18.57 (27.81) |
| Number of atoms | 5187 |
| Macromolecules | 4831 |
| Ligands | 123 |
| Water | 233 |
| Protein residues | 620 |
| RMS (bonds) | 0.008 |
| RMS (angles) | 1.07 |
| Ramachandran favored (%) | 99 |
| Ramachandran outliers (%) | 0 |
| Clashscore | 3.14 |
| Average B-factor (Å2) | 49.1 |
| Macromolecules (Å2) | 48.8 |
| Ligands (Å2) | 79.2 |
| Solvent (Å2) | 47.9 |
*
Values in parentheses are for the highest resolution shell.