7OK2

Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9999
Spacegroup name	C 2 2 21
Unit cell lengths	247.292, 367.650, 372.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.450 - 2.890
R-factor	0.194
Rwork	0.192
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dem
RMSD bond length	0.010
RMSD bond angle	1.260
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.580	2.940
High resolution limit [Å]	2.890	2.890
Rmerge	0.593	3.259
Rpim	0.368	2.180
Number of reflections	374109	18008
<I/σ(I)>	3.4	0.6
Completeness [%]	99.8	97.2
Redundancy	6.9	6.2
CC(1/2)	0.925	0.140

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	278	1.6 M (NH4)2SO4, 10% 1,4-Dioxane, 0.1 M MES pH 6.7