4KF9

Crystal structure of a glutathione transferase family member from ralstonia solanacearum, target efi-501780, with bound gsh coordinated to a zinc ion, ordered active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-06
Detector	RAYONIX 225 HE
Wavelength(s)	0.9793
Spacegroup name	P 31 2 1
Unit cell lengths	111.527, 111.527, 98.977
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.293 - 2.300
R-factor	0.1608
Rwork	0.159
R-free	0.18510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ic8
RMSD bond length	0.014
RMSD bond angle	1.081
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	BALBES
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.585	48.292	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.124	0.057	0.802
Total number of observations		7403	26278
Number of reflections	32015
<I/σ(I)>	10.4	9.7	0.9
Completeness [%]	100.0	99.1	100
Redundancy	7.2	6.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	Protein (10 mM Hepes pH 7.5, 5 mM GSH), Reservoir (0.2 M Zinc Acetate, 0.1 M Sodium Acetate pH 4.5, 10 %(w/v) PEG 3000), Cryoprotection (reservoir + 20% glycerol), vapor diffusion, sitting drop, temperature 298K