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. Author manuscript; available in PMC: 2012 Jun 7.

Published in final edited form as: Biochemistry. 2011 May 12;50(22):5077–5085. doi: 10.1021/bi200483k

Table 1.

Data collection and refinement statistics for CDA

	CDA·Zn²⁺ ·P-cytosine
Data collection
Space group	R32
No. of mol. in asym. unit	1
Cell dimensions
a, c (Å)	145.212, 200.609
Resolution (Å)^a	39.0-1.7 (1.76-1.70)
No. of unique reflections^a	86951 (8512)
R_merge ^a	0.096 (0.282)
I / σI^a	11.7 (3.1)
Completeness (%)^a	98.9 (96.5)
Refinement
Resolution (Å)^a	39.0-1.7
R_cryst	0.173
R _free	0.192
R.m.s. deviations
Bond lengths (Å)	0.007
Bond angles (°)	1.02
No. atoms
Protein	3336
Waters	221
Inhibitor	9
Zn²⁺ ions	1
PDB entry	3O7U

^a

Numbers in parentheses indicate values for the highest resolution shell