6PY5

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

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	67.240, 76.090, 113.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.800 - 1.900
R-factor	0.1975
Rwork	0.196
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c8c
RMSD bond length	0.010
RMSD bond angle	1.480
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.830	33.830	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.055	0.026	0.417
Rmeas	0.063	0.030	0.475
Rpim	0.029	0.015	0.220
Total number of observations	79149	599	5083
Number of reflections	21256	171	1353
<I/σ(I)>	12.7	30.2	2.5
Completeness [%]	92.3	72.6	94
Redundancy	3.7	3.5	3.8
CC(1/2)	0.998	0.997	0.898

Crystallization Conditions

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