6WII

Crystal structure of the K. pneumoniae LpxH/JH-LPH-41 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 32 2 1
Unit cell lengths	105.710, 105.710, 53.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.770 - 1.850
R-factor	0.1616
Rwork	0.160
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pj3
RMSD bond length	0.007
RMSD bond angle	0.863
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.290	1.900
High resolution limit [Å]	1.850	1.850
Rmeas	0.092	0.863
Number of reflections	29725	2156
<I/σ(I)>	16.88
Completeness [%]	99.9
Redundancy	10.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	4 mg/mL of LpxH, 0.27 mM JH-LPH-41, 10 mM MES (pH 6.0), 100 mM NaCl, 100 mM KCl, 50 mM sodium citrate (pH 5.5), 18.5% pentaerythritol propoxylate (5/4 PO/OH), 0.5mM DTT, 1% DMSO, 2.5% glycerol