. Author manuscript; available in PMC: 2011 Oct 19.

Published in final edited form as: Biochemistry. 2010 Oct 19;49(41):8978–8987. doi: 10.1021/bi101021e

Table 1.

Molecular Refinement Statistics

Violations of Covalent Geometry (rmsd)	(AP)₂−3 duplex	(AP)₂+3 duplex
Bond Lengths (Å)	0.007	0.006
Bond Angles (°)	4.04	3.81
Improper Angles (°)	0.30	0.15
Van der Waals (kcal/mol)	−420	−416
Violations of Experimental Restraints (rmsd)
Distance Violations (Å) (# of restraints)	0.012 (533)	0.007 (554)
Dihedral Angles (°) (# of restraints)	0.20 (228)	0.23 (228)

Comparison of refined structures based on the rmsd deviations from experimental restraints and idealized covalent geometry.