4ECJ

Crystal structure of glutathione s-transferase prk13972 (target efi-501853) from pseudomonas aeruginosa pacs2 complexed with glutathione

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	2012-03-15
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	85.541, 99.857, 51.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.760
R-factor	0.164
Rwork	0.163
R-free	0.18295
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gx0
RMSD bond length	0.008
RMSD bond angle	1.149
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	1.790
High resolution limit [Å]	1.760	1.760
Rmerge		0.870
Number of reflections	44597
<I/σ(I)>	8.2	1.1
Completeness [%]	99.1	86.6
Redundancy	4.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	294	0.17M AMMONIUM ACETATE, 0.085M SODIUM CITRATE, 25.5% PEG4000, 15% GLYCEROL, PH 5.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K