4PNF

Glutathione S-Transferase from Drosophila melanogaster - isozyme E6

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	2013-02-21
Detector	PSI PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	52.566, 208.494, 86.448
Unit cell angles	90.00, 92.45, 90.00

Refinement procedure

Resolution	39.897 - 2.110
R-factor	0.1861
Rwork	0.183
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.653
Data scaling software	SCALA (3.3.20)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.897	39.897	2.220
High resolution limit [Å]	2.110	6.670	2.110
Rmerge		0.018	0.334
Rmeas	0.079
Rpim	0.042	0.012	0.236
Total number of observations	347743	11674	36497
Number of reflections	102285
<I/σ(I)>	16.2	53.1	3.3
Completeness [%]	96.2	98.4	82.7
Redundancy	3.4	3.5	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES pH 7.5, 20% w/v PEG4000, 10% 2-propanol, 2 mM GSH, 10 mM DTT