6MOO

Co-Crystal structure of P. aeruginosa LpxC-achn975 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	2015-05-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	35.887, 66.860, 63.728
Unit cell angles	90.00, 90.81, 90.00

Refinement procedure

Resolution	19.490 - 2.200
R-factor	0.17938
Rwork	0.176
R-free	0.23888
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j3d
RMSD bond length	0.016
RMSD bond angle	1.781
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.490	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	14425
<I/σ(I)>	9.12
Completeness [%]	99.1
Redundancy	2
CC(1/2)	0.918	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	25% PEG 3350 and 0.1 M Bis-Tris pH 5.5