Table 1. Crystal details, data collection and final refinement parameters.
Unit cell dimensions (Å) | a = b = 30.2, c = 39.3 |
Space group | P64 |
No. of observations | 30 670 |
No. of unique reflections | 1955 |
Resolution range (Å) | 40–1.8 |
Rmerge (%) | 9.4 (35.1)a |
Completeness (%) | 99.8 (100)a |
I/σI | 21.5 (5.0)a |
No. of water molecules | 17 full occupancy and three partial occupancy |
R (%) | 21.9 |
Rfree (%) | 29.1 |
RMSD from ideal geometry of final model distances | |
Bonds (Å) | 0.004 (0.03)b |
Angles (Å) | 0.012 (0.05)b |
Planes (Å) | 0.027 (0.10)b |
Average B values (Å2) | |
Bases | 25 |
Sugars | 28 |
Phosphates | 32 |
Intercalated ligand (100% occupancy) | 29 |
Intercalated ligand side chain (66% occupancy) | 49 |
End-stacked ligand (50% occupancy) | 26 |
Water | |
Full occupancy | 34 |
Partial occupancy | 43 |
aValues in parentheses are for the last shell, 1.86–1.80 Å.
bTarget values are in parentheses.