TABLE 1.
Data collection, phasing, and refinement statistics Numbers in parentheses refer to the highest resolution shell. EPE, Hepes.
| Crystal | FAOX-II (SeMet) | FAOX-II-FSA (SeMet) |
|---|---|---|
| Data collection | ||
| Cell dimensions | ||
| a (Å) | 74.3 | 87.1 |
| b (Å) | 54.3 | 53.4 |
| c (Å) | 106.3 | 103.3 |
| β (°) | 95.92 | 113.33 |
| Wavelength (Å) | 0.97929 | 1.08100 |
| Resolution (Å) | 20-1.75 (1.81-1.75) | 30-1.6 (1.66-1.6) |
| Rsym or Rmerge (%) | 6.9 (59.5) | 10.4 (24.0) |
| I/σI | 26.8 (2.9) | 14.6 (3.3) |
| Completeness (%) | 99.7 (98.4) | 91.3 (52.0) |
| Redundancy | 6.8 (6.2) | 6.8 (3.4) |
| Refinement | ||
| Resolution (Å) | 20-1.8 | 30-1.6 |
| No. of reflections | 74,880 | 105,596 |
| Rwork/Rfree (%) | 16.7/20.4 | 17.0/19.8 |
| No. of atoms | ||
| Protein | 6,678 | 7,018 |
| Ligand:FAD | 106 | 106 |
| Ligand:FSA | 32 | |
| Ligand:EPE | 15 | |
| Water | 842 | 925 |
| Average B-factors (Å2) | ||
| Protein | 17.5 | 16.6 |
| Ligands | 21.8 | 19.7 |
| Water | 29.3 | 30.0 |
| r.m.s.d. | ||
| Bond lengths (Å) | 0.013 | 0.010 |
| Bond angles (°) | 1.4 | 1.3 |
| Ramachandran | ||
| Most favored (%) | 88.4 | 88.7 |
| Additional allowed (%) | 11.6 | 11.3 |
| Disallowed (%) | 0 | 0 |