5T7M

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	72.110, 78.410, 116.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.225 - 2.250
R-factor	0.1876
Rwork	0.185
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t65
RMSD bond length	0.008
RMSD bond angle	1.161
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.225	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.120	0.800
Number of reflections	32028
<I/σ(I)>	10.9	2
Completeness [%]	100.0	100
Redundancy	8.2	8.6
CC(1/2)	0.996	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	4.6	293	COUNTERDIFFUSION METHOD: 2.0 M SODIUM FORMATE, 0.1 M NA ACT pH 4.6