1JUP

Crystal structure of the multidrug binding transcriptional repressor QacR bound to malachite green

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2000-11-23
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 42 21 2
Unit cell lengths	174.200, 174.200, 96.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.600 - 2.950
R-factor	0.238
Rwork	0.238
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jus
RMSD bond length	0.016
RMSD bond angle	1.600
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.600	3.100
High resolution limit [Å]	2.950	2.950
Rmerge	0.089
Number of reflections	26023
<I/σ(I)>	11	2.4
Completeness [%]	86.8	78
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K