3LQ7

Crystal structure of glutathione s-transferase from agrobacterium tumefaciens str. c58

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	93
Detector technology	CCD
Collection date	2010-01-23
Detector	ADSC QUANTUM 315
Spacegroup name	C 2 2 21
Unit cell lengths	54.920, 111.245, 246.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.24453
Rwork	0.243
R-free	0.28815
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.146
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	33875
<I/σ(I)>	8.7	2.7
Completeness [%]	99.3	100
Redundancy	6.3	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5		0.1M BIS-TRIS, PH 6.5, 25% PEG3350, 200MM AMMONIUM SULFATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K