6PY4

Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-leucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-09
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	I 21 21 21
Unit cell lengths	70.210, 71.440, 112.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.300 - 2.000
R-factor	0.1928
Rwork	0.191
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c8c
RMSD bond length	0.009
RMSD bond angle	1.552
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.349	33.266	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.034	0.311
Rmeas	0.083	0.038	0.336
Rpim	0.032	0.015	0.126
Total number of observations	131407	3987	19591
Number of reflections	19503	630	2817
<I/σ(I)>	13.7	28.4	4.8
Completeness [%]	99.8	93.9	100
Redundancy	6.7	6.3	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Ammonium sulfate and Tris-HCl