6PH9

Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	105.990, 105.990, 52.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.895 - 1.920
R-factor	0.1793
Rwork	0.178
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k8k
RMSD bond length	0.002
RMSD bond angle	0.538
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]	45.895	1.989
High resolution limit [Å]	1.920	1.920
Number of reflections	26262	2588
<I/σ(I)>	33.03
Completeness [%]	99.9
Redundancy	19.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	4 mg/mL protein, 10 mM MES, pH 6.0, 100 mM NaCl, 0.5 mM DTT, 2.5% glycerol, 100mM calcium chloride dihydrate, 50mM HEPES, pH 7.0, 16.5% PEG 400