Table 2. Structure solution and refinement.
| PDB code | 7kty | 7ku1 | 7ku2 | 7ku3 | 7ktz | 7ku0 |
|---|---|---|---|---|---|---|
| Description | Average | Green | Red | Cyan | Purple | Yellow |
| Final R work (%) | 19.13 | 22.08 | 20.97 | 18.15 | 16.18 | 16.74 |
| Final R free (%) | 20.19 | 26.37 | 23.42 | 21.01 | 19.01 | 19.41 |
| No. of non-H atoms | ||||||
| Protein | 1786 | 1771 | 1778 | 1794 | 1786 | 1786 |
| Ligand | 15 | 5 | 5 | 15 | 15 | 15 |
| Water | 99 | 10 | 44 | 195 | 249 | 243 |
| Total | 1900 | 1786 | 1827 | 2004 | 2050 | 2044 |
| R.m.s. deviations | ||||||
| Bonds (Å) | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 |
| Angles (°) | 0.86 | 1.00 | 0.86 | 0.77 | 0.80 | 0.74 |
| Average B factors (Å2) | ||||||
| Protein | 57.9 | 67.4 | 58.7 | 36.6 | 28.1 | 28.8 |
| Ligand | 63.0 | 83.9 | 75.7 | 40.7 | 40.7 | 34.8 |
| Water | 58.7 | 63.0 | 56.1 | 42.3 | 37.1 | 36.8 |
| Ramachandran plot (%) | ||||||
| Favored | 97.47 | 96.20 | 97.06 | 97.47 | 98.31 | 98.73 |
| Allowed | 1.69 | 2.95 | 2.52 | 2.11 | 1.27 | 0.84 |