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
格子定数 [Å]	24.590, 40.440, 65.760
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	8.000 - 2.000
R因子	0.197
Rwork	0.197
結合長の平均二乗偏差(RMSD) [Å]	0.020
結合角の平均二乗偏差(RMSD) [度]	4.300
Refinement software	X-PLOR

Quality characteristics

	Overall
分解能 [Å] (高)	2.000 *
Rmerge_l_obs	0.031 *
Total number of observations	11176 *
独立反射数	4365 *
完全性 [%]	87.0

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion *	7 *	19 *

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
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))