Table 1. Crystallographic data collection and refinement statistics.
| A3B-CD1m | |
|---|---|
| Data collection | |
| Space group | P21 21 21 |
| Cell dimensions | |
| a, b, c (Å) | 60.7, 60.8, 111.5 |
| α, β, γ (Å) | 90, 90, 90 |
| Resolution (Å) | 50–1.90 (1.97–1.90)a |
| R sym or Rmerge | 6.6 (67.7) |
| I / σI | 29.2 (5.1) |
| Completeness (%) | 99.8 (100) |
| Redundancy | 11.3 (10.2) |
| Molecules per ASU | 2 |
| Refinement | |
| Resolution (Å) | 30.73–1.90 |
| No. reflections | 32 957 |
| R work/Rfree | 18.6/20.9 |
| No. atoms | 3368 |
| Protein | 3132 |
| Ligand/ion | 2 |
| Water | 234 |
| B-factors | 36.39 |
| Protein | 35.93 |
| Ligand/ion | 24.57 |
| Water | 42.67 |
| r.m.s. deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 0.790 |
Structure was determined from a single crystal.
aHighest-resolution shell is shown in parentheses