7OJQ

Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7

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	166.680, 166.680, 98.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.270 - 1.870
R-factor	0.202
Rwork	0.201
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dem
RMSD bond length	0.010
RMSD bond angle	1.060
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]	59.530	59.560	1.900
High resolution limit [Å]	1.870	5.070	1.870
Rmeas	0.185	0.069	2.659
Rpim	0.073	0.028	1.041
Number of reflections	111525	5688	5610
<I/σ(I)>	7.9	24.2	0.9
Completeness [%]	99.9	99.5	100
Redundancy	6.5	6	6.4
CC(1/2)	0.996	0.997	0.499

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