Table 1.
Data collection and refinement statistics
| Statistic | Value |
| Data collection | |
| Space group | P21 |
| Wavelength,Å | 0.9184 |
| Cell dimensions | |
| a, b, c, Å | 72.4, 97.1, 101.1 |
| α, β, γ,° | 90.0, 98.4, 90.0 |
| Resolution, Å | 50.0–1.80 (1.85–1.80)* |
| Rmerge | 0.106 (0.586) |
| Rp.i.m. | 0.051 (0.292) |
| I/σI | 10.4 (2.0) |
| Completeness, % | 98.6 (97.0) |
| Multiplicity | 5.1 (4.8) |
| Refinement | |
| Resolution, Å | 35.8–1.8 (1.84–1.80) |
| No. of reflections | 119,356 (6,310) |
| Rwork/ Rfree | 0.168/0.220 (0.306/0.350) |
| No. of atoms | |
| Protein | 10,200 |
| Ligand/ion | 172 |
| Water | 1,762 |
| B-factors | |
| Protein | 21.9 |
| Ligand/ion | 16.8 |
| Water | 33.2 |
| rmsd | |
| Bond lengths, Å | 0.019 |
| Bond angles, ° | 2.721 |
*
Values in parentheses represent the highest-resolution shell.