Table 1. Data Collection and Refinement Statistics for CHAO Holoenzyme and Ternary Complexes.
| CHAO·FAD | CHAO·FAD·Cyclohexanone | |
| Data Collection | ||
| Space Group | C2221 | P212121 |
| Cell Dimensions (Å) | a = 217.7, b = 234.6, c = 90.1 | a = 86.5, b = 138.5, c = 177.2 |
| Resolutiona(Å) | 50.00–3.00 (3.11–3.00) | 50.00–2.93 (3.03–2.93) |
| Completeness (%) | 95.8 (92.8) | 95.1 (95.3) |
| Rmerge b (%) | 14.3 (40.3) | 11.8 (28.8) |
| I/σ(I) | 16.0 (5.5) | 14.9 (4.3) |
| Wilson B-factor (Å2) | 32.1 | 26.0 |
| Number of Reflections | 38, 366 | 42,275 |
| Refinement | ||
| Rcryst c | 24.0 | 23.1 |
| Rfree d | 25.3 | 26.2 |
| Molecules per A.U. | 4 | 4 |
| Number of Atomse | 3,517 | 3,524 |
| RMSD bonds (Å) | 0.01 | 0.01 |
| RMSD angles (°) | 1.54 | 1.80 |
| B-factors (Å2) | ||
| Overall | 26.4 | 22.5 |
| Protein | 26.4 | 22.5 |
| Cofactor | 26.5 | 18.3 |
| Product | N/A | 49.0 |
a
Numbers in brackets represent data from the highest resolution shell.
b
, where 
represents the intensities of a multiply measured reflection hkl and 
their average.
c
d
Rfree is the R-factor calculated from 10% of the data not included in refinement.
e
The number of atoms refined is reduced by a factor of four as strict four-fold non-crystallographic symmetry was employed during refinement.