. Author manuscript; available in PMC: 2008 Sep 25.

Published in final edited form as: Biochemistry. 2006 Apr 4;45(13):4141–4152. doi: 10.1021/bi052322r

Table 1.

Selected crystal data, data collection and refinement parameters

Structure	A-ANA	A-FANA	B-ANA1	B-ANA2
DNA Sequence	GCGT-2′OMeA-aU-ACGC	GCGT-2′OMeA-faT-ACGC	CGCGAA-aU-TCGCG	CGCGAAT-aU-CGCG
Space Group	P2₁2₁2₁	P2₁	P2₁2₁2₁	P2₁2₁2₁
Crystal System	orthorhombic	monoclinic	Orthorhombic	orthorhombic
Cell Constants (Å/°)	a = 32.28 b = 32.47 c = 66.75	a = 32.73 b = 69.18 c = 32.83 β= 92.2	a = 25.47 b = 39.76 c = 65.35	a = 25.70 b = 39.92 c = 65.56
Temperature (°C)	−170
Strands per Asymm. Unit	2	4	2	2
No. of Ions, Solvent Molecules	3 Co(NH₃)₆³⁺, 1 Cl⁻, 131 H₂O	7 Co(NH₃)₆³⁺, 177 H₂O	1 Mg²⁺, 179 H₂O	1 Mg²⁺, 131 H₂O
Unique data [I/σ(I) ≥ 0)	21,545	15,464	23,845	19,780
Completeness, Overall (%)	93.1 (33-1.19 Å)	94.0 (35-1.69 Å)	96.3 (50-1.13 Å)	99.8 (30-1.24 Å)
Completen., Last Shell (%)	88.0 (1.27-1.19 Å)	89.6 (1.80-1.69 Å)	59.5 (1.17-1.13 Å)	99.5 (1.34-1.24 Å)
R-merge	0.070	0.094	0.033	0.077
Resolution (Å)	1.19	1.69	1.13	1.24
R-work	0.157	0.194	0.188	0.155
R-free	0.169	0.211	0.240	0.212
R.m.s. Bond Lengths (Å)	0.007	0.015	0.011	0.012
R.m.s. Bond Angles (°/Å)^a	1.2	2.7	0.019	0.019
PDB ID code	2FIJ	2FIL	2FIH	2FII

For the A-ANA and A-FANA structures that were refined with the program REFMAC (44, 45) the units for r.m.s bond angles are degrees and for the B-ANA1 and B-ANA2 structures that were refined with the program SHELXL (43), the units are Å (1…3 distances).