6ET1

Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 2)

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	2014-08-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	151.479, 230.923, 134.255
Unit cell angles	90.00, 113.92, 90.00

Refinement procedure

Resolution	48.114 - 2.650
R-factor	0.1822
Rwork	0.181
R-free	0.20320
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.547
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	BALBES
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.114	48.110	2.700
High resolution limit [Å]	2.650	14.510	2.650
Rmerge	0.113	0.020	0.967
Rmeas	0.131	0.023	1.114
Rpim	0.065	0.011	0.549
Number of reflections	121019	750	5927
<I/σ(I)>	10.7
Completeness [%]	99.4	96.7	99
Redundancy	3.9	4	4
CC(1/2)	0.995	0.999	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1 M HEPES (pH 8.0), 0.2 M Ammonium sulfate, 30% Poly(acrylic acid sodium salt) 2100