6NXV

Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri, apo form

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	2018-06-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	87.159, 105.500, 124.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.813 - 2.750
R-factor	0.196
Rwork	0.194
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nv6
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	Inner shell	Outer shell
Low resolution limit [Å]	80.439	30.000	2.900
High resolution limit [Å]	2.750	2.900	2.750
Rmerge		0.121	0.686
Rmeas	0.148	0.148	0.842
Rpim	0.063	0.063	0.356
Total number of observations	159325
Number of reflections	30033	30033	4282
<I/σ(I)>	8.9	8.9	2
Completeness [%]	98.8	98.6	97.1
Redundancy	5.3	5.3	5.4
CC(1/2)		0.994	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	273	0.1M Bis-Tris, pH 7.1, 0.2M magnesium chloride, 26% PEG 3,350. Crystals appear in 2-3 days and grow up to 6-7 days