3RBT

Crystal structure of glutathione S-transferase Omega 3 from the silkworm Bombyx mori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-09
Detector	RAYONIX MX-225
Wavelength(s)	0.97900
Spacegroup name	C 2 2 21
Unit cell lengths	108.537, 139.030, 128.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.500 - 2.200
R-factor	0.21748
Rwork	0.215
R-free	0.26288
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eem
RMSD bond length	0.008
RMSD bond angle	1.052
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	49572
Completeness [%]	99.8	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.2M magnesium chloride, 0.1M Tris-HCl pH 8.5, 25% polyethylene glycol 3350, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K