5LTV

LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECPETOR PCTC IN COMPLEX WITH GABA

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	2016-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.873
Spacegroup name	P 64
Unit cell lengths	209.765, 209.765, 68.885
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.630 - 2.310
R-factor	0.1796
Rwork	0.177
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t65
RMSD bond length	0.012
RMSD bond angle	1.221
Data reduction software	XDS
Data scaling software	SCALA (0.5.21)
Phasing software	SHELX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.630	48.630	2.390
High resolution limit [Å]	2.310	8.950	2.310
Rmerge	0.162	0.046	1.082
Number of reflections	76088
<I/σ(I)>	9.4
Completeness [%]	99.9	98.1	100
Redundancy	7	7	6.6
CC(1/2)	0.996	0.998	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	8.5	293	Capillary counter diffusion: 2.0M NH4 Sulphate,0.1M Tris-HCl pH 8.50.