9CCZ

Crystal Structure of the K. pneumoniae LpxH / JH-LPH-92 Complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00003
Spacegroup name	P 32 2 1
Unit cell lengths	106.220, 106.220, 53.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.990 - 2.100
R-factor	0.1844
Rwork	0.183
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.530
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]	45.990	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	20620	2036
<I/σ(I)>	8.02
Completeness [%]	99.9
Redundancy	10
CC(1/2)	0.991	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.25 mg/mL of LpxH, 0.16 mM JH-LPH-92, 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 17 % w/v PEG 400