Table 1.
Crystallographic data collection and refinement statistics
| Data collectiona | |
| Space group | P212121 |
| Unit cell dimensions | |
| a, b, c (Å) | 59.761 60.914 95.804 |
| α, β, γ (°) | 90, 90, 90 |
| Wavelength (Å) | 1.000 |
| Resolution (Å) | 38.97 (2.40) |
| Completeness (%) | 97.8 (84.7) |
| Unique reflections | 13,856 |
| Redundancy (fold) | 12.3 (6.4) |
| 〈I〉/〈σI〉 | 19.9 (2.27) |
| Rmerge (%) | 12.5 (55.9) |
| Refinement | |
| Number of molecules/a.u. | 2 |
| Rwork/Rfree (%) | 20.1/24.5 |
| Number of non-hydrogen atoms | |
| Protein | 2,707 |
| Ligand | 31 |
| Ramachandran plot (%) | |
| Favored | 98 |
| Allowed | 1.5 |
| Outliers | 0.31 |
| r.m.s.d. | |
| Bond lengths (Å) | 0.003 |
| Bond angles (°) | 0.483 |
| Average B-factor (Å2) | 46.19 |
a Numbers in parentheses are for the highest-resolution shell.