6PYI

Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA

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	2015-10-29
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	I 21 21 21
Unit cell lengths	66.060, 75.500, 113.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.451 - 1.950
R-factor	0.1976
Rwork	0.195
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c8c
RMSD bond length	0.010
RMSD bond angle	1.069
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.500	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.070	0.390
Number of reflections	20853	3032
<I/σ(I)>	16.2	4.8
Completeness [%]	99.0	100
Redundancy	5.1

Crystallization Conditions

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