5T65

LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-ILE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9801
Spacegroup name	P 61
Unit cell lengths	132.610, 132.610, 77.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.153 - 2.200
R-factor	0.1681
Rwork	0.166
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c8c
RMSD bond length	0.010
RMSD bond angle	1.162
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.153	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	0.540
Number of reflections	39288
<I/σ(I)>	20.99	3.32
Completeness [%]	100.0	100
Redundancy	7	7
CC(1/2)	0.999	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	5	293.5	Capillary COUNTER-DIFFUSION: 2.8 M AMMONIUM SULPHATE, 0.1M SODIUM ACETATE pH 5.0, T 20 C