6NV6

Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri with glutathione bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-09-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	89.120, 106.510, 125.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.998 - 2.650
R-factor	0.1798
Rwork	0.177
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kh7
Data reduction software	iMOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.790
High resolution limit [Å]	2.650	2.650
Rmerge	0.109	0.639
Rmeas	0.138	0.812
Rpim	0.063	0.496
Number of reflections	35328	5096
<I/σ(I)>	10.7	2
Completeness [%]	99.8	99.1
Redundancy	4.8	4.7
CC(1/2)	0.993	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.25	293	0.1M bis-tris:HCl, pH 7.0, 0.2M magnesium chloride and 25% (w/v) PEG 3,350