Table 1.
Data collection and refinement statistics.
| A. data collection | Native l-AAO/MOG | Se-met l-AAO/MOG |
|---|---|---|
| Beamline | BL1A | NW12A |
| Wavelength (Å) | 1.000 | 0.97921 |
| Space group | P21212 | I222 |
| Unit cell (Å) | a = 118.9 | a = 74.2 |
| b = 141.4 | b = 101.1 | |
| c = 76.0 | c = 151.7 | |
| Resolution (Å)a | 50.00–1.90 | 50.00–2.20 |
| (1.93–1.90) | (2.24–2.20) | |
| Total reflections | 619,854 | 420,419 |
| Unique reflections | 98,486 (4930) | 55,946 (2810) |
| Completeness (%)a | 97.5 (99.9) | 99.9 (100.0) |
| Redundancya | 6.3 (6.2) | 7.5 (7.4) |
| Mean I/σ (I)a | 24.7 (3.2) | 27.0 (3.0) |
| Rsym (%)a | 8.2 (50.7) | 9.7 (59.2) |
| B. Refinement | ||
| Resolution (Å) | 30.4–1.9 | |
| No. of reflections | 93,180 | |
| R-factor/Rfree (%) | 20.9/25.3 | |
| No. of atoms | 8987 | |
| No. of solvents | 405 (Water), 2 (FAD) | |
| RMSD from ideal values | ||
| Bond lengths (Å) | 0.021 | |
| Bond angles (°) | 2.09 | |
| Average B-factor (Å2) | ||
| Protein (chain A/B) | 28.7/29.3 | |
| FAD (chain A/B) | 18.1/19.2 | |
| Water | 30.3 | |
| Ramachandran Plot (%) | ||
| Favored (chain A/B) | 98.3/96.8 | |
| Allowed (chain A/B) | 1.7/2.4 | |
| Outlier (chain A/B) | 0.0/0.7 | |
a
Values for highest resolution shell are given in parentheses.