7SS6

Structure of Klebsiella LpxH in complex with JH-LPH-45

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	2019-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 32 2 1
Unit cell lengths	105.820, 105.820, 53.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.280 - 1.740
R-factor	0.1681
Rwork	0.167
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pj3
RMSD bond length	0.007
RMSD bond angle	0.937
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]	46.280	1.800
High resolution limit [Å]	1.740	1.740
Number of reflections	35718	3542
<I/σ(I)>	24.31
Completeness [%]	100.0
Redundancy	11.2
CC(1/2)	1.000	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	4 mg/mL protein, 0.27 mM JH-LPH-45, 10 mM MES (pH 6.0), 100 mM NaCl, 0.5 mM DTT, 2.5% glycerol, 0.625% DMSO, 0.025 M magnesium acetate tetrahydrate, 0.025 M sodium acetate pH 5.4, 12% v/v PEG400