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. Author manuscript; available in PMC: 2010 Sep 9.
Published in final edited form as: J Am Chem Soc. 2009 Sep 9;131(35):12548–12549. doi: 10.1021/ja905739j

Table 1.

Watson-Crick H-bond distances d1 and d2 and distance d3 (O2/F2…C2) for T:A and F:A pairs in crystal structures of B-form DNA.

B-form DNA
duplex
Base
pair
d1
[Å]
d2
[Å]
d3
[Å]
Resol.
[Å]
PDB
code
Ref.
Native DDDa A5:T20
T8:A17
2.98
2.96
2.77
2.82
3.54
3.62
1.1 436D 12a
Native DDDa A5:T20
T8:A17
3.01
3.11
2.83
2.77
3.55
3.46
1.4 355D 12b
Native DDD :
BhRNase Hb
F8:A17
F8:A17
2.95
2.99
2.81
2.76
3.57
3.47
1.8 3D0P 11
F8-DDD :
BhRNase Hb
F8:A17
F8:A17
3.09
3.12
3.41
3.34
4.40
4.34
1.6 3I8D this
work
a

The duplex [d(CGCGAATTCGCG)]2 (nucleotides in one strand are numbered 1–12 and 13–24 in the other) lies in a general position, and the A5:T20 and T8:A17 base pairs (bold font) exhibit different geometries.

b

The first base pair is from duplex 1 and the second from duplex 2. Both duplexes sit on a dyad and F8:A17 and A5:F20 are symmetry-equivalent.