TABLE 1.
Data collection and refinement statistics
| Data collection | |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 68.6, 74.1, 112.6 |
| α, β, γ | 90° |
| Wavelength (Å) | 0.872 |
| Resolution range | 35–2.0 |
| Rmeas | 0.11 (0.46) |
| I/σ(I) | 11.8 (3.7) |
| Completeness (%) | 100.0 (100.0) |
| Redundancy | 4.9 |
| Refinement statistics | |
| Resolution range (Å) | 35–2.0 |
| No. of reflections | 43,632 |
| Rwork/Rfree | 0.155/0.192 |
| No. of atoms | |
| Protein | 4053 |
| Ligand | 69 |
| Water | 380 |
| Average B-factors (Å2) | |
| Protein | 22.1 |
| Ligand | 17.5 |
| Water | 33.0 |
| r.m.s.d.a | |
| Bond lengths (Å) | 0.010 |
| Bond angles | 1.12° |
a r.m.s.d., root mean square deviation.