1A2E

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

Experimental procedure

Experimental method	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
Unit cell lengths	42.890, 29.980, 46.570
Unit cell angles	90.00, 95.98, 90.00

Refinement procedure

Resolution	20.000 - 1.630
R-factor	0.1692
R-free	0.20300 *
Structure solution method	MAD
RMSD bond length	0.007 *
RMSD bond angle	0.016 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	SHELXL-96

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.130	1.720
High resolution limit [Å]	1.630	1.630
Rmerge	0.037	0.063
Total number of observations	60517 *
Number of reflections	7333 *
<I/σ(I)>	6	12
Completeness [%]	97.0 *	91
Redundancy	3.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *	4 *	pH 6.20

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
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