Table 1.
Data collection and refinement statistics.
| D9 + m7GDP (PDB 7SEZ) | D9 + trinucleotide (PDB 7SF0) | |
|---|---|---|
| Data collection | ||
| Space group | C2221 | C2221 |
| Cell dimensions | ||
| a, b, c (Å) | 52.55, 140.1, 75.98 | 52.74, 139.99, 76.02 |
| ɑ, β, Ɣ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 51.5–1.7 (1.761–1.7)a | 70–1.95 (2.02–1.95)a |
| Rmerge | 0.05939 (2.264) | 0.08334 (1.142) |
| I/σ(I) | 26.5 (2.81) | 20.86 (1.96) |
| Completeness (%) | 99.83 (99.58) | 99.76 (98.39) |
| Redundancy | 12.8 (12.7) | 12.6 (9.3) |
| Refinement | ||
| Resolution (Å) | 51.5–1.7 | 70–1.95 |
| No. unique reflections | 31,249 | 20,891 |
| Rwork/Rfree | 0.1935/0.2245 | 0.2010/0.2471 |
| No. atoms | ||
| Protein | 1,729 | 1,717 |
| Ligand/ion | 38 | 32 |
| Water | 198 | 169 |
| B-factors | ||
| Protein | 36.4 | 36.7 |
| Ligand/ion | 47.0 | 47.8 |
| Water | 45.1 | 42.7 |
| R.M.S. deviations | ||
| Bond lengths (Å) | 0.008 | 0.005 |
| Bond angles (°) | 1.22 | 0.92 |
| Ramachandran (%) | ||
| Favored | 96 | 97 |
| Allowed | 3.04 | 3 |
| Outliers | 0.96 | 0 |
Each dataset was collected from a single crystal.
a
Values in parentheses are for the highest resolution shell.