109D

VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Detector technology	AREA DETECTOR
Detector	XENTRONICS
Spacegroup name	P 21 21 21
Unit cell lengths	24.590, 40.440, 65.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.197
Rwork	0.197
RMSD bond length	0.020
RMSD bond angle	4.300
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.000 *
Rmerge	0.031 *
Total number of observations	11176 *
Number of reflections	4365 *
Completeness [%]	87.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *	19 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	dodecamer	0.6 (mM)
2	1	drop	MPD	9.9 (%(v/v))
3	1	drop	sodium cacodylate	8.6 (mM)
4	1	drop	sperine HCl	0.3 (mM)
5	1	drop	compund 2	1.4 (mM)
6	1	drop		12.9 (mM)
7	1	reservoir	MPD	35 (%(v/v))