1JT0

Crystal structure of a cooperative QacR-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 65
Unit cell lengths	174.700, 174.700, 151.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.700 * - 2.900
R-factor	0.222
Rwork	0.222
R-free	0.25800
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	1.360 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.730	3.030
High resolution limit [Å]	2.900	2.900
Rmerge	0.054	0.401 *
Total number of observations	302270 *
Number of reflections	59396
<I/σ(I)>	11.4	1.7
Completeness [%]	99.2	99.9
Redundancy	5.1	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	298	Lithium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	Li2(SO4)

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	lithium sulfate	100 (%sat)
2	1	reservoir	magnesium sulfate	10 (mM)
3	1	reservoir	HEPES	0.1 (M)	pH7.5