6ESZ

Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-04
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	61.989, 142.384, 171.121
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.343 - 1.840
R-factor	0.151
Rwork	0.149
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6et1
RMSD bond length	0.007
RMSD bond angle	0.829
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX (dev_2875)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.460	47.460	1.870
High resolution limit [Å]	1.840	10.080	1.840
Rmerge	0.120	0.027	1.066
Rmeas	0.128	0.029	1.142
Rpim	0.044	0.011	0.404
Number of reflections	132059	929	6539
<I/σ(I)>	14.1
Completeness [%]	100.0	99.2	100
Redundancy	8.2	7.3	7.9
CC(1/2)	0.998	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	0.1 M Bis-Tris (pH 6.6), 0.2 M Lithium sulfate, 16% PEG 3350, 5% MPD