1CKT

CRYSTAL STRUCTURE OF HMG1 DOMAIN A BOUND TO A CISPLATIN-MODIFIED DNA DUPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	123
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	105.210, 50.410, 53.130
Unit cell angles	90.00, 99.82, 90.00

Refinement procedure

Resolution	100.000 - 2.500
R-factor	0.238
Rwork	0.238
R-free	0.23900
Structure solution method	MIRAS
RMSD bond length	0.013
RMSD bond angle	32.200 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.500
Rmerge	0.044	0.334 *
Number of reflections	9655
Completeness [%]	97.1	84.2 *
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.4 *	20 *	CRYSTALS WERE OBTAINED FROM A SOLUTION THAT CONTAINED HEPES, MAGNESIUM ACETATE, PEG 3350, GLYCEROL AND DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MAGNESIUM ACETATE
2	1	1	HEPES
3	1	1	PEG 3350
4	1	1	GLYCEROL
5	1	1	DTT

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.6 (mM)
10	1	reservoir	glycerol	1 (%)
11	1	reservoir	PEG3350	16 (%)
12	1	reservoir	dithiothreitol	5 (mM)
2	1	drop	DNA duplex	0.9 (mM)
3	1	drop	HEPES	0.05 (M)
4	1	drop	magnesium acetate	40 (mM)
5	1	drop	glycerol	1 (%)
6	1	drop	PEG3350	16 (%)
7	1	drop	dithiothreitol	2.5 (mM)
8	1	reservoir	HEPES	0.1 (M)
9	1	reservoir	magnesium acetate	80 (mM)