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. Author manuscript; available in PMC: 2011 Oct 18.

Published in final edited form as: Chemistry. 2010 Oct 18;16(39):11867–11875. doi: 10.1002/chem.201000392

Table 4.

Structure Refinement Parameters for 8-bp PNA and Bipy PNA

	P9-merged	P8-III
resolution [Å]	50–1.1	50–1.2
No. of data	38601	29399
No. of restraints	11775	9536
No of parameter	8683	7484
No of non-H-atoms	963	831
No of solvent molecules^*	8	5
No of carbonate	2	0
No of water	171	189
wR2 (all data)	0.356	0.454
R1[F>4σ]	0.127	0.179
R1_free [I>4σ]	0.169	0.220

^*

ethylene glycol, glycerol or propanediol