Table 2. Data collection and refinement statistics of 3NTDO-FDS2 and 3NTDO-ODS2.
| Ferredoxin(3NTDO-FDS2) | Oxygenase (3NTDO-ODS2) | |
|---|---|---|
| PDB-ID | 5BOK | 5XBP |
| Wavelength (Ã…) | 0.873 | 0.976 |
| Resolution range (Ã…) | 33.81–2.4 (2.486–2.4) | 47.71–2.9 (2.95–2.90) |
| Space group | I 4 2 2 | P 31 2 1 |
| Unit cell | 79.53 79.53 108.97 90 9090 | 178.80 178.80 242.32 90 90 120 |
| Unique reflections | 7092 (688) | 95735 (4714) |
| Completeness (%) | 99.12 (99.28) | 96.2 (96.57) |
| Mean I/sigma(I) | 17.28 (6.27) | 7.3 (1.11) |
| Wilson B-factor | 55.6 | 45.46 |
| R-merge | 0.063 (0.799) | 0.170 (1.346) |
| Rpim | 0.022 (0.283) | 0.113 (1.043) |
| Multiplicity | 8.6 (8.4) | 5.2 (3.4) |
| Mn(I) half set correlation CC(1/2) | 0.999 (0.811) | 0.984 (0.491) |
| R-factor | 0.2312 (0.5345) | 0.2406 (0.3594) |
| R-free | 0.2619 (0.5928) | 0.2839 (0.3965) |
| Number of atoms | 816 | 15339 |
| macromolecules | 796 | 15267 |
| ligands | 5 | 15 |
| water | 15 | 57 |
| Protein residues | 102 | 1908 |
| RMS(bonds) | 0.011 | 0.012 |
| RMS(angles) | 1.39 | 1.56 |
| Ramachandran favored (%) | 92 | 93 |
| Ramachandran outliers (%) | 0.99 | 0.69 |
| Clashscore | 12.67 | 21.44 |
| Average B-factor | 51.50 | 40.10 |
| macromolecules | 51.60 | 40.10 |
| solvent | 46.40 | 39.0 |