Table 1.
Data collection and refinement statistics.
| Pt(DACH)- 3′G・dCTP (6MXO) |
|
|---|---|
| Data Collection | |
| Space Group | P 61 |
| Cell constants | |
| a (Å) | 98.560 |
| b | 98.560 |
| c | 81.713 |
| α (°) | 90.00 |
| β | 90.00 |
| γ | 120.0 |
| Resolution (Å)a | 37.86–2.04 |
| Rmerge b (%) | (2.08–2.04) 0.133 |
| <I/σ> | (0.727) 19.54 (3.00) |
| Completeness (%) | 99.2 (98.3) |
| Redundancy | 11.3 (9.7) |
| Refinement | |
| Rwork c/Rfree d (%) | 17.5/23 |
| Unique reflections | 28856 |
| Mean B factor (Å2) | |
| Protein | 24.41 |
| Ligand | 25.61 |
| Solvent | 21.57 |
| Ramachandran plot | |
| Most favored (%) | 97.4 |
| Additional allowed (%) | 2.6 |
| RMSD | |
| Bond lengths (Å) | 0.018 |
| Bond angles (°) | 1.86 |
a
Values in parentheses are for the highest resolution shell.
b
Rmerge = Σ|I-<I>|/ ΣI where I is the integrated intensity of a given reflection.
c
Rwork = Σ|F(obs)-F(calc)|/ΣF(obs).
d
Rfree = Σ|F(obs)-F(calc)|/ΣF(obs), calculated using 5% of the data.