3PR8

Structure of Glutathione S-transferase(PP0183) from Pseudomonas putida in complex with GSH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	48.032, 66.012, 88.853
Unit cell angles	89.92, 85.55, 86.50

Refinement procedure

Resolution	40.000 - 1.800
R-factor	0.1727
Rwork	0.171
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lxz
RMSD bond length	0.014
RMSD bond angle	1.405
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.080	0.064	0.376
Number of reflections	97182
<I/σ(I)>	10.7
Completeness [%]	96.8	94.4	95.8
Redundancy	2.2	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1M Bis-Tris pH5.5, 1% PEG 3350, 1.0M Ammonium Sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K