7OJW

Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 93

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	I 41
Unit cell lengths	167.340, 167.340, 98.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.920 - 1.720
R-factor	0.182
Rwork	0.182
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dem
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.160	59.200	1.750
High resolution limit [Å]	1.720	4.670	1.720
Rmeas	0.102	0.048	2.531
Rpim	0.040	0.019	1.049
Number of reflections	143052	7283	7142
<I/σ(I)>	11.1	29.1	1.1
Completeness [%]	100.0	99.5	100
Redundancy	6.6	6.3	5.7
CC(1/2)	0.998	0.998	0.298

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	278	1.5 M NH4Cl, 0.1 M Na Acetate pH 4.5