5LTX

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

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	PIXEL
Collection date	2014-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	71.680, 76.555, 116.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.358 - 2.020
R-factor	0.1892
Rwork	0.188
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t65
RMSD bond length	0.004
RMSD bond angle	0.684
Data reduction software	XDS
Data scaling software	Aimless (0.3.3)
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.730	47.730	2.090
High resolution limit [Å]	2.020	7.820	2.020
Rmerge	0.082	0.023	0.997
Number of reflections	42626
<I/σ(I)>	12.4
Completeness [%]	99.7	99.1	99.1
Redundancy	4.8	4.6	4.8
CC(1/2)	0.999	0.999	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	4.6	293	Capillary counter diffusion: 2.0 M sodium formate & 0.1 M Na Act pH 4.6