Table 1.
Crystallographic data and refinement statistics
| KdpE-E216A-DNA | KdpE-DNA | KdpE-RD-D52A | |
|---|---|---|---|
| Data collection | |||
| Space group | P 43 21 2 | P 43 21 2 | P 3121 |
| Cell dimensions | |||
| a, b, c (Å) | 132.77, 132.77, 134.51 | 133.14, 133.14, 133.67 | 108.91, 108.91, 74.40 |
| α, β, γ (°) | 90 90 90 | 90 90 90 | 90 90 120 |
| Resolution (Å) | 44.32 - 2.53 (2.62 - 2.53) | 66.57 - 2.94 (3.05 - 2.94) | 29.21 - 2.20 (2.28 - 2.20) |
| Rsym or Rmerge | 0.11 (0.49) | 0.10 (0.67) | 0.067 (0.619) |
| I / σI | 13.48 (4.40) | 12.11 (3.8) | 24.40 (6.08) |
| Completeness (%) | 99.20 (100.0) | 99.83 (100.0) | 99.74 (97.48) |
| Redundancy | 12.0 (12.2) | 8.4 (8.4) | 21.8 (21.5) |
| Refinement | |||
| Resolution (Å) | 44.32 - 2.53 | 66.57 - 2.945 | 44.32 - 2.53 |
| No. reflections | 40355 (3990) | 25990 (2550) | 26052 (2518) |
| Rwork / Rfree | 20.38/24.50 | 20.86/24.83 | 17.36/21.91 |
| No. atoms | |||
| Protein | 3539 | 3556 | 2707 |
| DNA | 1224 | 981 | |
| Iodine | - | - | 35 |
| Water | 148 | 25 | 163 |
| B-factors | |||
| Protein | 64.95 | 67.25 | 69.70 |
| DNA | 104.83 | 98.27 | - |
| Iodine | - | - | 93.50 |
| Water | 65.29 | 53.46 | 69.10 |
| R.M.S. deviations | |||
| Bond lengths (Å) | 0.004 | 0.003 | 0.008 |
| Bond angles (°) | 0.930 | 0.760 | 1.10 |
Data were collected on a single crystal for each data set. Values in parentheses are for highest-resolution shell.