1QVU

Crystal structure of the multidrug binding transcriptional repressor QacR bound to two drugs: ethidium and proflavine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	171.800, 171.800, 94.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	121.480 - 2.960
R-factor	0.223
Rwork	0.223
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jt6
RMSD bond length	0.013
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	121.480	3.020
High resolution limit [Å]	2.960	2.960
Number of reflections	31274
Completeness [%]	98.7	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	ammonium sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K