5LT9

Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Arg

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	2012-06-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	111.729, 111.729, 117.551
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.353 - 3.000
R-factor	0.2164
Rwork	0.215
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t65
RMSD bond length	0.003
RMSD bond angle	0.638
Data scaling software	Aimless (0.2.14)
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	117.550	117.550	3.180
High resolution limit [Å]	3.000	9.000	3.000
Rmerge	0.116	0.047	0.937
Rmeas	0.122
Rpim	0.040
Total number of observations	157570
Number of reflections	17440
<I/σ(I)>	12.9
Completeness [%]	100.0	99.8	100
Redundancy	9	8.1	6.6
CC(1/2)	0.998	0.998	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7.5	293	Capillary counterdiffusion: 1.25 M sodium citrate & 0.1 M Hepes pH 7.5