9CCX

Crystal Structure of the Klebsiella pneumoniae LpxH/JH-LPH-86 complex

This is a non-PDB format compatible entry.

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	2023-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 32 2 1
Unit cell lengths	106.630, 106.630, 54.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.790 - 2.300
R-factor	0.1958
Rwork	0.194
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.709
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]	46.790	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	15953	1564
<I/σ(I)>	13.56
Completeness [%]	99.2
Redundancy	8
CC(1/2)	0.998	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1 mg/mL of LpxH, 0.14 mM LPH-86, 10 mM MES (pH 6.0), 100 mM NaCl, 0.5 mM DTT, 2.5% glycerol, 0.8% DMSO, 0.05 M sodium acetate pH 5.0, and 18 % v/v PEG 400