6UED

Apo Pseudomonas aeruginosa LpxD Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	80
Detector technology	CCD
Collection date	2016-04-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.00
Spacegroup name	H 3
Unit cell lengths	104.755, 104.755, 94.305
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.710 - 1.550
R-factor	0.1766
Rwork	0.176
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.613
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.058	0.033
Rmeas	0.061	0.035
Rpim	0.020	0.011	0.507
Total number of observations	604118
Number of reflections	55962	2771	2701
<I/σ(I)>	10.6
Completeness [%]	99.8	98.7	98.1
Redundancy	10.8	11.3	5.9
CC(1/2)		0.999	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	12% PEG 3350 0.2M Magnesium Acetate