Table 1. Data collection and refinement statistics.
| CD1–1 | CD1–2 | CD1–dT10 | |
|---|---|---|---|
| Data collection | |||
| Space group | P1 21 1 | P32 | P1 21 1 |
| Cell dimensions | |||
| a, b, c (Å) | 106.2, 81.3, 106.3 | 152.4, 152.4 79.8 | 105.7, 83.3, 105.8 |
| α, β, γ (°) | 90, 120, 90 | 90, 90, 120 | 90, 120, 90 |
| Resolution (Å) | 50–2 (2.07–2.00) | 50–2.90 (2.95–2.90) | 50–2.39 (2.48–2.39) |
| Rsym or Rmerge | 7.4 (58.3) | 11.6 (67.7) | 7.6 (43) |
| I/σI | 18.6 (2.5) | 29.4 (1.9) | 26 (4.2) |
| Completeness (%) | 97.8 (82.1) | 98.8 (85.7) | 100 (99.7) |
| Redundancy | 4.4 (3) | 7 (5.3) | 6.9 (5) |
| Refinement | |||
| Resolution (Å) | 46.03–2.00 | 42.30–2.91 | 45.79–2.39 |
| No. reflections | 102,317 | 44,680 | 63,261 |
| Rwork/Rfree | 18.9/22 | 22.3/25 | 18.7/25.1 |
| No. atoms | 10,141 | 6,342 | 9,837 |
| Protein | 9,493 | 6,338 | 9,454 |
| Ligand/ion | 6 | 4 | 107 |
| Water | 642 | 0 | 276 |
| B-factors | 37.50 | 90.60 | 45.40 |
| Protein | 37.10 | 90.60 | 45.50 |
| Ligand/ion | 31.50 | 84.40 | 39.90 |
| Water | 42.10 | NA | 41.70 |
| r.m.s. deviations | |||
| Bond lengths (Å) | 0.011 | 0.022 | 0.009 |
| Bond angles (°) | 1.34 | 1.71 | 1.17 |
NA, not applicable; r.m.s., root mean square.
Each structure was determined from a single crystal.
Highest-resolution shell is shown in parentheses.