6UEG

Pseudomonas aeruginosa LpxA Complex Structure with Ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	80
Detector technology	CCD
Collection date	2017-10-14
Detector	RAYONIX MX300-HS
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	80.390, 82.520, 224.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.430 - 2.000
R-factor	0.1792
Rwork	0.176
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.512
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	111.725	6.960	2.072
High resolution limit [Å]	2.000	4.920	2.000
Rmerge		0.045	0.040
Rmeas	0.102	0.048	0.043
Rpim	0.042	0.019	0.016
Number of reflections	79561	4553	2651
<I/σ(I)>	13.2	13.9	12.7
Completeness [%]	87.6	99.9	99.8
Redundancy	5.1	6.5	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	20% PEG 1000 0.2M calcium acetate 0.1M imidazole pH 7.0