3TOT

Crystal structure of GLUTATHIONE TRANSFERASE (TARGET EFI-501058) from Ralstonia solanacearum GMI1000

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	2011-08-09
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	76.324, 76.324, 151.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.140 - 1.760
R-factor	0.17335
Rwork	0.172
R-free	0.20383
Structure solution method	MR
Starting model (for MR)	3lxt
RMSD bond length	0.010
RMSD bond angle	1.137
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.760	1.760
Rmerge		0.850
Number of reflections	45208
<I/σ(I)>	6.5	2
Completeness [%]	100.0	99.9
Redundancy	11.8	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6		0.2M AMMONIUM ACETATE, 0.1M SODIUM CITRATE 30% PEG4000, PH 5.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K