Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell. Data were collected on beamline ID23-1 at the ESRF.
| Data collection | |
| Space group | P6122 |
| a, b, c (Å) | 73.92, 73.92, 159.96 |
| α, β, γ (°) | 90, 90, 120 |
| Wavelength (Å) | 0.885600 |
| Resolution (Å) | 40.97–2.42 (2.507–2.420) |
| R merge | 0.1142 (2.228) |
| 〈I/σ(I)〉 | 21.75 (1.49) |
| Completeness (%) | 99.84 (99.01) |
| Multiplicity | 35.8 (37.1) |
| CC1/2 | 1 (0.754) |
| Refinement | |
| Resolution (Å) | 40.97–2.42 (2.507–2.420) |
| No. of reflections | 10470 (1001) |
| R work/R free | 0.24/0.27 |
| No. of atoms | |
| Total | 1966 |
| Protein | 1936 |
| Ligand/ion | 29 |
| Water | 1 |
| B factors (Å2) | |
| Overall | 55.76 |
| Protein | 55.67 |
| Ligand/ion | 61.14 |
| Water | 69.31 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 1.26 |
| Ramachandran statistics | |
| Favored (%) | 96.05 |
| Allowed (%) | 3.16 |
| Outliers (%) | 0.79 |