8ZXS

Crystal structure of multidrug efflux transporter OqxB from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	121.392, 165.939, 249.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.040 - 2.750
R-factor	0.2389
Rwork	0.236
R-free	0.28770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.888
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.340	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.082
Rpim	0.032
Number of reflections	130594	44929
<I/σ(I)>	12.9	0.9
Completeness [%]	99.7	95.19
Redundancy	7.33	7.3
CC(1/2)	0.998	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	10% PEG 4000, 0.1M ADA, 0.2M magnesium chloride