4I97

The crystal structure of glutathione S-transferase SnigGSTD1A from Scaptomyza nigrita in complex with glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	63.290, 63.290, 221.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.470 - 2.150
R-factor	0.222
Rwork	0.219
R-free	0.27320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ein
RMSD bond length	0.018
RMSD bond angle	1.816
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MrBUMP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.470	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.110	0.440
Number of reflections	25312
<I/σ(I)>	11.6	4.3
Completeness [%]	99.2	98.8
Redundancy	13.6	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2 M sodium acetate, 0.1 M Tris-HCl, 27% PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K