5LTO

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	111.427, 111.427, 117.715
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.628 - 3.459
R-factor	0.2197
Rwork	0.217
R-free	0.27680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l79
RMSD bond length	0.002
RMSD bond angle	0.534
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.628	74.628	3.471
High resolution limit [Å]	3.459	16.003	3.459
Rmerge	0.181	0.035	1.094
Number of reflections	11417
<I/σ(I)>	13.8
Completeness [%]	100.0	98.6	100
Redundancy	9.6	7	9.8
CC(1/2)	0.995	0.994	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7.5	293	Capillary counter diffusion: 1.7M NH4 Sulphate, 3.5% PEG 400, 0.1M Na-Hepes pH 7.5