Table 1.
Data Collection and Refinement Statistics
| Structure | Tm-RNase H2 ΔC | Tm-RNase H2 ΔC | Tm-RNase H2 ΔC |
|---|---|---|---|
| D107N | CaCl2 | D107N | |
| MgCl2 | (WT-1R-Ca) | MnCl2 | |
| (1R-Mg) | (1R-Mn) | ||
| Data Collection | |||
| Space group | C2 | C2 | C2 |
| Cell dimensions | |||
| a, b, c (Å) | 105.06, 48.57, 78.39 | 106.12, 47.35, 79.01 | 104.66, 48.57, 77.91 |
| α, β, γ | 90, 131.80, 90 | 90, 132.81, 90 | 90, 131.97, 90 |
| Resolution (Å) | 30–2.0 (2.03–2.00)a | 50–2.1 (2.14–2.10)a | 50–2.8 (2.85–2.80)a |
| Rmerge (%) | 6.4 (42.4) | 8.6 (48.4) | 8.4 (33.0) |
| I/σI | 21.6 (1.9) | 20.5 (2.8) | 21.0 (2.5) |
| Completeness (%) | 94.9 (68.4) | 99.2 (98.8) | 93.3 (57.4) |
| Redundancy | 3.4 (2.1) | 3.6 (3.4) | 6.2 (2.6) |
| Refinement | |||
| Resolution (Å) | 2.0 | 2.1 | 2.8 |
| Number of reflections | 17,874 | 15,873 | 6,616 |
| Rfree set | 943 (5.28%) | 816 (5.14%) | 646 (9.76%) |
| Rwork/Rfree (%) | 19.1/24.4 | 17.1/24.5 | 18.2/25.3 |
| Number of atoms | 2,374 | 2,471 | 2,276 |
| Protein | 1,739 | 1,735 | 1,738 |
| Nucleic acids | 487 | 487 | 486 |
| Water | 146 | 244 | 49 |
| Metal ions | 2 | 5 | 3 |
| B-factors | 37.6 | 38.7 | 32.2 |
| Protein | 36.8 | 35.9 | 32.1 |
| Nucleic acids | 40.0 | 44.4 | 32.8 |
| Water | 39.0 | 47.1 | 28.8 |
| Metal ions | 44.4 | 44.5 | 49.2 |
| Rmsds | |||
| Bond lengths (Å) | 0.007 | 0.008 | 0.007 |
| Bond angles (°) | 1.163 | 1.254 | 1.168 |
a
Values in parentheses are for highest-resolution shell.