4ID0

Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione sulfinic acid (gso2h) and acetate

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	2012-11-08
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	68.542, 69.741, 80.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.015 - 1.100
R-factor	0.159
Rwork	0.158
R-free	0.17180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tou
RMSD bond length	0.015
RMSD bond angle	1.656
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.300	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.096	0.052
Number of reflections	1904924
<I/σ(I)>		3.6
Completeness [%]	91.5	57
Redundancy	13.4	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	Protein (10 mM Hepes pH 7.5, 100 mM NaCl + 5 mM Reduced glutathione); Reservoir (200 mM AmAcetate, 100 mM Na3Citrate pH 5.6, 25% Peg4000, 15% glycerol); Cryoprotection (90% reservoir, 10% glycerol), vapor diffusion, sitting drop, temperature 298K