Table 1. Data collection and refinement statistics for iA1–A3 and aA3.
| iA1–A3 (PDB ID: 5A1K) | aA3 (PDB ID: 5A1M) | |
|---|---|---|
| Data collection | ||
| Space group | C2 | I422 |
| Cell dimensions | ||
| a, b, c (Å) | 135.4 , 65.3, 105.2 | 92.5, 92.5, 86.9 |
| α, β, γ (°) | 90, 118.3, 90 | 90, 90, 90 |
| Resolution (Å) | 59.6–2.9 (3.0–2.9) | 35.5–1.8 (1.9–1.8) |
| Rmerge, % | 15.3 (133.0) | 10.8 (88.9) |
| Average I/Io | 10.4 (1.5) | 21.6 (3.5) |
| Completeness, % | 98 (95) | 100 (97) |
| Redundancy | 5.5 (5.5) | 14.2 (14.1) |
| Refinement | ||
| Resolution (Å) | 59.6–2.9 (3.0–2.9) | 35.5–1.8 (1.9–1.8) |
| No. of reflections | 17,745 (2,818) | 13,831 (2,615) |
| Rwork/Rfree | 24.0 (30.2)/24.8 (33.3) | 18.2 (20.4)/18.9 (22.5) |
| No. of atoms | ||
| Protein | 5,402 | 815 |
| Ligand/ion | 0 | 1 |
| Water | 107 | 58 |
| B-factors | ||
| Protein | 61 | 20 |
| Ligand/ion | 0 | 17 |
| Water | 51 | 28 |
| r.m.s.d. | ||
| Bond lengths (Å) | 0.008 | 0.008 |
| Bond angles (°) | 1.120 | 0.980 |
r.m.s.d., root mean squared deviation.