6PIB

Structure of the Klebsiella pneumoniae LpxH-AZ1 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	2018-06-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 32 2 1
Unit cell lengths	106.750, 106.750, 52.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.960 - 2.260
R-factor	0.1979
Rwork	0.196
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k8k
RMSD bond length	0.001
RMSD bond angle	0.403
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]	45.960	2.340
High resolution limit [Å]	2.260	2.260
Number of reflections	16565	1646
<I/σ(I)>	20.32
Completeness [%]	99.9
Redundancy	9.9

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, and 11% PEG 400.