3HTI

Crystal structure of multidrug binding protein EbrR complexed with malachite green

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-09-21
Detector	RIGAKU RAXIS HTC
Spacegroup name	P 31 2 1
Unit cell lengths	59.910, 59.910, 110.236
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.060 - 2.500
R-factor	0.2535
Rwork	0.254
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hta
RMSD bond length	0.009
RMSD bond angle	1.260
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.060
High resolution limit [Å]	2.500
Rmerge	0.031
Number of reflections	8937
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.8	295	50% Tacsimate, 0.1 M Magnesium sulfate, 0.1 M Cacodylate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K