1QBJ

CRYSTAL STRUCTURE OF THE ZALPHA Z-DNA COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	123
Detector technology	IMAGE PLATE
Collection date	1998-04-20
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 4 21 2
Unit cell lengths	85.900, 85.900, 71.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.100
R-factor	0.227
Rwork	0.227
R-free	0.26500
Structure solution method	SIRAS
RMSD bond length	0.006
RMSD bond angle	24.060 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.074 *	0.535 *
Number of reflections	29702
<I/σ(I)>	27.3	2
Completeness [%]	99.9	99.3
Redundancy	9.8	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6		HANGING DROP VAPOR DIFFUSION OVER 1.6 M (NH4)2SO4, 10 % GLYCEROL AT 24 DEGREES CELSIUS, pH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.8 (M)
2	1	reservoir	glycerol	10 (%)