3GST

STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	88.240, 69.440, 81.280
Unit cell angles	90.00, 106.01, 90.00

Refinement procedure

Resolution	6.000 * - 1.900
R-factor	0.159
RMSD bond length	0.019
RMSD bond angle	0.030 *
Refinement software	GPRLSA

Data quality characteristics

	Overall
High resolution limit [Å]	1.900 *
Rmerge	0.084 *
Number of reflections	34613 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11.3 (mg/ml)
2	1	drop	(9R,-10R)-9,10-dihydro-9-(S-glutathionyl)-10-hydroxyphenanthrene	3.5 (mM)
3	1	drop	beta-octylglucopyranoside	0.4 (%(w/v))
4	1	drop	ammonium sulfate	40 (%(w/v)sat)
5	1	drop		10 (mM)
6	1	reservoir	ammonium sulfate	60-74 (%(w/v)sat)
7	1	reservoir	beta-octylglucopyranoside	0.46 (%(w/v))
8	1	reservoir		10 (mM)