TABLE 2.
PilE data collection and refinement statistics
ASU, asymmetric unit.
| SeMet-PilE | ||
|---|---|---|
| Data collection | ||
| Beamline | NSLS X25 | |
| Wavelength | 0.979 | |
| Space group | C2 | |
| Unit cell parameters | ||
| a, b, c (Å) | 76.16, 35.56, 43.54 | |
| α, β, γ (°) | 90.0, 97.32, 90.0 | |
| No. of molecules in ASU | 1 | |
| Resolution range (Å)a | 50.0–1.25 (1.27–1.25) | |
| Unique reflections | 30,749 | |
| Data redundancya | 6.4 (4.5) | |
| Completeness (%)a | 95.4 (89.6) | |
| I/σ(I)a | 20.7 (7.6) | |
| Rmerge (%)a | 8.4 (21.0) | |
| Wilson B | 8.28 | |
| Model and refinement | ||
| Resolution range (Å) | 43.21–1.25 | |
| Rwork (%) | 15.90 | |
| Rfree (%) | 17.53 | |
| No. of reflections | 30,645 | |
| No. of amino acid residues/atoms | 831 | |
| No. of waters | 248 | |
| RMSD bond lengths (Å) | 0.005 | |
| RMSD bond angles (°) | 0.965 | |
| Average B (Å2) | 11.51 | |
| Ramachandran statistics (%) | ||
| Favored | 99.12 | |
| Allowed | 0.88 | |
| PDB code | 4NOA | |
a Values in parentheses represent highest resolution shell.