Table 3.
Data collection and refinement statistics
| APK270 Selmet | APK270 native | |
|---|---|---|
| RCSB ID | 6EF6 | |
| Data collectiona | ||
| Wavelength (Å) | 0.97921 | 0.97949 |
| Space group | C2 | C2 |
| Cell dimensions | ||
| a, b, c (Å) | 72.18, 70.19, 60.83 | 72.01, 70.05, 60.72 |
| α, β, γ (°) | 90.00, 95.36, 90.000 | 90.00, 95.12, 90.00 |
| Resolution (Å) | 50–1.60 (1.64–1.60 | 50–1.35 (1.39–1.35) |
| Rsym | 0.061 (0.55) | 0.058 (0.52) |
| I/σI | 16.7 (2.57) | 11.0 (2.04) |
| Completeness (%) | 99.9 (99.9) | 99.6 (98.4) |
| Redundancy | 3.8 (3.7) | 3.3 (2.8) |
| Refinement | ||
| Resolution (Å) | 50–1.35 (1.39–1.35) | |
| No. reflections | 65,635 | |
| Rwork/Rfree (%) | 14.9/16.8 | |
| No. atoms | ||
| Protein | 2638 | |
| Ligand/ion | 21 | |
| Water | 231 | |
| B-factors | ||
| Protein | 28.5 | |
| Ligand/ion | 42.9 | |
| Water | 34.5 | |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.011 | |
| Bond angles (°) | 1.16 | |
| Ramachandran plot | ||
| Favored (%) | 96.3 | |
| Allowed (%) | 99.7 | |
a The dataset was collected from a single crystal. Values in parentheses are for the highest-resolution shell.