4PNG

Glutathione S-transferase from Drosophila melanogaster - isozyme E7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-15
Detector	PSI PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	56.731, 87.090, 87.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.580 - 1.530
R-factor	0.16
Rwork	0.158
R-free	0.19070
RMSD bond length	0.009
RMSD bond angle	1.433
Data reduction software	XDS (0.1.26)
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.580	34.580	1.560
High resolution limit [Å]	1.530	8.380	1.530
Rmerge	0.046	0.013	0.372
Rpim	0.024	0.007	0.238
Total number of observations	285608	1948	5129
Number of reflections	63530
<I/σ(I)>	21.1	82.1	2.9
Completeness [%]	96.5	95.4	55.8
Redundancy	4.5	4.4	2.9
CC(1/2)	0.999	1.000	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M Tris HCl pH 7.5, 25% w/v PEG4000, 2 mM GSH, 10 mM DTT