Table 2.
Data Collection and Refinement Statistics
| PrfAWT-1 | |
| Data Collection | |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 56.34, 80.97, 62.34 |
| α, β, γ (°) | 90.00, 112.54, 90.00 |
| Resolution (Å) | 57.58–2.25 (2.33–2.25)a |
| Rmerge | 0.058 (0.985) |
| Rpim | 0.041 (0.698) |
| Wilson B factor (Å2) | 60.3 |
| <I/σI> | 12.1 (1.6) |
| Completeness (%) | 99.2 (97.9) |
| Redundancy | 5.6 (5.5) |
| CC1/2b | 2.25 Å |
| Refinement | |
| Resolution (Å) | 57.58–2.25 (2.33–2.25) |
| Number of reflections | 24,400 (2,375) |
| Rwork/Rfree | 0.203/0.254 (0.370/0.400) |
| Number of atoms | |
| Protein | 3,738 |
| Ligand | 54 |
| Water | 22 |
| B factors (Å2) | |
| Protein | |
| Monomer A | 86.6 |
| Monomer B | 83.6 |
| Ligands | |
| 1 (AI) | 65.5 |
| 1 (BII) | 70.1 |
| Water | 61.2 |
| Root-mean-square deviation | |
| Bond lengths (Å) | 0.016 |
| Bond angles (°) | 1.40 |
| Ramachandran (%) | |
| Favored | 98.0 |
| Outliers | 0.0 |
| Clash score | 3.21 |
a
Data collected from one crystal.
b
Suggested resolution cut-off (AIMLESS, see Supplemental Experimental Procedures). Values in parentheses are for highest-resolution shell.