6GSV

FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE

Experimental procedure

Detector technology	AREA DETECTOR
Collection date	1995-04-17
Detector	SIEMENS
Spacegroup name	C 1 2 1
Unit cell lengths	86.620, 68.540, 80.370
Unit cell angles	90.00, 105.74, 90.00

Refinement procedure

Resolution	6.000 - 1.750
R-factor	0.181 *
Rwork	0.181
RMSD bond length	0.020
RMSD bond angle	0.040
Data reduction software	XENGEN
Data scaling software	XENGEN
Refinement software	GPRLSA

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.750
Rmerge	0.070
Total number of observations	187981 *
Number of reflections	45856
Completeness [%]	99.3
Redundancy	4.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8-12 (mg/ml)
2	1	drop	Tris-HCl	25 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	beta-octyl D-glucopyranoside	0.2 (%)
5	1	drop	product inhibitor	2 (mM)
6	1	drop	ammonium sulfate	40-50 (%sat)
7	1	reservoir	ammonium sulfate	60-72 (%sat)