7CZ9

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	2019-04-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9000
Spacegroup name	P 1
Unit cell lengths	128.947, 128.780, 137.262
Unit cell angles	91.28, 90.01, 103.57

Refinement procedure

Resolution	43.280 - 1.850
R-factor	0.1821
Rwork	0.180
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dx5
RMSD bond length	0.018
RMSD bond angle	1.408
Data reduction software	XDS (Ver. Mar 15, 2019)
Data scaling software	XSCALE (Ver. Mar 15, 2019)
Phasing software	PHASER ((1.18_3845: ???))
Refinement software	PHENIX ((1.18_3845: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.280	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.073
Number of reflections	709740	34205
<I/σ(I)>	8.9	0.9
Completeness [%]	96.7	93.2
Redundancy	3.8	3.9
CC(1/2)	1.000	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG 4000, sodium chloride, Glycerol, 2-(N-morpholino)ethanesulfonic acid