Table 2.
Restraints and structural statistics for AcrIF7
| Experimental restraints | <SA>a |
|---|---|
| Nonredundant NOEs | 1244 |
| Dihedral angles, ϕ / ψ | 63/63 |
| Hydrogen bonds | 31 |
| Residual dipolar coupling, 1DNH | 64 |
| Total number of restraints | 1465 (21.9 per residue) |
| Rms deviation from experimental restraints | |
| Distances (Å) (2032) | 0.016 ± 0.004 |
| Torsion angles (°) (196) | 1.13 ± 0.10 |
| Residual dipolar coupling R-factor (%)b | |
| 1 D NH (%) (64) | 0.26 ± 0.01 |
| Rms deviation from idealized covalent geometry | |
| Bonds (Å) | 0.001 ± 0 |
| Angles (°) | 0.45 ± 0.01 |
| Impropers (°) | 0.37 ± 0.02 |
| Coordinate precision (Å)c | |
| Backbone | 0.60 ± 0.09 |
| Heavy atoms | 1.23 ± 0.09 |
| Ramachandran statistics (%) | |
| Favored regions | 94.9 ± 1.1 |
| Allowed regions | 5.1 ± 1.1 |
aFor the ensemble of the final 20 simulated annealing structures.
bThe magnitudes of the axial and rhombic components of the alignment tensor were 3.0 Hz and 0.34, respectively.
cRegions with secondary structures.