6Q0F

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

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	2018-02-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	I 21 21 21
Unit cell lengths	60.210, 71.830, 112.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.670 - 2.200
R-factor	0.2057
Rwork	0.202
R-free	0.28580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c8c
RMSD bond length	0.005
RMSD bond angle	1.510
Data reduction software	iMOSFLM
Data scaling software	Aimless (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.508	35.647	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.035	0.353
Rmeas	0.072	0.042	0.407
Rpim	0.035	0.023	0.199
Total number of observations	48123	1431	7042
Number of reflections	12446	402	1820
<I/σ(I)>	14.2	30.3	4.3
Completeness [%]	98.5	91	99.7
Redundancy	3.9	3.6	3.9

Crystallization Conditions

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