4ZZL

MexR R21W derepressor mutant causing multidrug resistance in P. aeruginosa by mexAB-oprM efflux pump expression

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-07
Detector	DECTRIS PIXEL
Spacegroup name	P 32 2 1
Unit cell lengths	84.880, 84.880, 114.187
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.090 - 2.190
R-factor	0.192
Rwork	0.191
R-free	0.20620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lnw
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.090	2.310
High resolution limit [Å]	2.190	2.190
Rmerge	0.090	0.900
Number of reflections	24956
<I/σ(I)>	24.9	4.7
Completeness [%]	99.8	98.9
Redundancy	21.2	21.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1