6MO4

Co-Crystal structure of P. aeruginosa LpxC-50067 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	36.125, 66.717, 63.655
Unit cell angles	90.00, 90.72, 90.00

Refinement procedure

Resolution	33.358 - 1.844
R-factor	0.1795
Rwork	0.177
R-free	0.22610
RMSD bond length	0.007
RMSD bond angle	0.908
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER ((1.12_2829: ???))
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.360	1.890
High resolution limit [Å]	1.840	1.844
Number of reflections	1746
<I/σ(I)>	9.17
Completeness [%]	95.8
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	50 mM MgCl2, 20% PEG 3350 and 0.1 M HEPES pH 8