6PJ3

Crystal structure of the Klebsiella pneumoniae LpxH/JH-LPH-33 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	105.800, 105.800, 53.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.810 - 2.250
R-factor	0.1797
Rwork	0.178
R-free	0.21490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k8k
RMSD bond length	0.002
RMSD bond angle	0.447
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.810	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	16571	1620
<I/σ(I)>	15.19
Completeness [%]	99.7
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10 mM MES, pH 6.0, 100 mM NaCl, 0.5 mM DTT, 2.5% glycerol, 0.75% DMSO,25 mM sodium chloride, 10 mM magnesium chloride hexahydrate, 50 mM sodium citrate, pH 6.0, 11% PEG 400