1A2E

CRYSTAL STRUCTURE OF A DOUBLE-STRANDED DNA DECAMER CONTAINING A CISPLATIN INTERSTRAND CROSS-LINK ADDUCT

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW21B
Synchrotron site	LURE
Beamline	DW21B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11-01
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
格子定数 [Å]	42.890, 29.980, 46.570
格子定数 [度]	90.00, 95.98, 90.00

精密化法

残基	20.000 - 1.630
R因子	0.1692
R-free	0.20300 *
Structure solution method	MAD
結合長の平均二乗偏差(RMSD) [Å]	0.007 *
結合角の平均二乗偏差(RMSD) [度]	0.016 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	SHELXL-96

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	46.130	1.720
分解能 [Å] (高)	1.630	1.630
Rmerge_l_obs	0.037	0.063
Total number of observations	60517 *
独立反射数	7333 *
<I/σ(I)>	6	12
完全性 [%]	97.0 *	91
冗長性	3.5	3.1

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion, hanging drop *	6 *	4 *	pH 6.20

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	DNA	0.0825 (M)
2	1	drop	sodium cacodylate	20 (mM)
3	1	drop		5 (mM)
4	1	drop		30 (mM)
5	1	drop	spermine	2.5 (mM)
6	1	drop	MPD	2 (%(v/v))
7	1	reservoir	MPD