4IBP

Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione

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	I 21 21 21
Unit cell lengths	70.531, 81.915, 111.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.659 - 1.800
R-factor	0.2214
Rwork	0.220
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tou
RMSD bond length	0.007
RMSD bond angle	1.109
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.660	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.094	0.692
Number of reflections	30206
<I/σ(I)>		1.7
Completeness [%]	99.3	100
Redundancy	8.9	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (10 mM Hepes pH 7.5, 100 mM NaCl); Reservoir (0.1 M Bis-Tris Propane:HCl pH 7.0, 1.8 M Magnesium Sulfate); Cryoprotection (20 mM Bis-Tris Propane:HCl pH 7.0, 2.2 M Magnesium Sulfate + 2 mM reduce glutathione), VAPOR DIFFUSION, SITTING DROP, temperature 298K