4L8E

Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit

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	2013-06-14
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 65 2 2
Unit cell lengths	65.331, 65.331, 213.919
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.045 - 1.700
R-factor	0.152
Rwork	0.151
R-free	0.17590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gx0
RMSD bond length	0.011
RMSD bond angle	1.381
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	AMoRE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	213.919	28.045	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.117	0.010	0.010
Total number of observations		19211	92428
Number of reflections	29857
<I/σ(I)>	18.2	13.6	0.8
Completeness [%]	97.6	94.4	96.7
Redundancy	21.4	18.1	21.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	7	298	Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 5% glycerol, 5 mM GSH); Reservoir (0.1 M Sodium Acetate, 0.1 M MES pH 6.5, 30 %(w/v) PEG 400); Cryoprotection (reservoir), sitting drop vapor diffusion, temperature 298K