5G4Z

Structural basis for carboxylic acid recognition by a Cache chemosensory domain.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-19
Detector	ADSC CCD
Spacegroup name	P 64
Unit cell lengths	73.428, 73.428, 74.923
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.590 - 1.980
R-factor	0.15785
Rwork	0.157
R-free	0.17741
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g4y
RMSD bond length	0.020
RMSD bond angle	1.972
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.090	0.880
Number of reflections	16058
<I/σ(I)>	18.7	3.3
Completeness [%]	100.0	100
Redundancy	11.1	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PROTEIN AT 8.5 MG/ML IN 50 MM BISTRIS CHLORIDE, PH 6.5, 50 MM SODIUM CHLORIDE IN EQUAL VOLUME WITH 27% PEG 4000 AND 3% SUCROSE AT 20 C IN SITTING DROP PLATES. CRYSTALS WERE LATER SOAKED IN RESERVOIR SOLUTION WITH 40 MM NEUTRALIZED PROPIONATE.