Table 1. Structural parametersa.
Helical parametersb | ||
Twist A8/P9 (°) | 36–44 | 29–36 |
Twist P9/G10 (°) | 29–33 | – |
Rise A8/P9 (Å) | 3.0–3.3 | 2.8–3.9 |
Rise P9/G10 (Å) | 3.1–3.4 | – |
Sugar conformation | ||
Pyrene | C2′-endo | C2′-endo |
Abasic site | C2′-endo | C2′-endo |
Solvent accessible surfacec | ||
Initial model (%) | 13 | 31 |
Refined model (%) | 7 | 14 |
NOE restraintsd | ||
Non-exchangeable | 307 (1) | 260 (3) |
Hydrogen-bonding | 28 (0) | 17 (0) |
aComputed with Curves5.1. The first set of values correspond to the (P·F)-duplex and the second to the (P·F)-intermediate.
bB-form values are twist 36°, rise 3.4 Å.
cPyrene area accessible to water.
dNumber of distance restraints (violations > 0.1 Å).