5GST

REACTION COORDINATE MOTION IN AN SNAR REACTION CATALYZED BY GLUTATHIONE TRANSFERASE

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 * - 2.000
R-factor	0.194 *
RMSD bond length	0.019 *
RMSD bond angle	0.031 *
Refinement software	GPRLSA

Data quality characteristics

	Overall
Low resolution limit [Å]	6.000 *
High resolution limit [Å]	2.000 *
Rmerge	0.073 *
Total number of observations	112537 *
Number of reflections	32038 *

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)