16GS

GLUTATHIONE S-TRANSFERASE P1-1 APO FORM 3

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-08-25
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	77.537, 89.797, 68.673
Unit cell angles	90.00, 97.79, 90.00

Refinement procedure

Resolution	15.000 - 1.900
R-factor	0.227
Rwork	0.227
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gss
RMSD bond length	0.007
RMSD bond angle	1.280 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.000	1.980
High resolution limit [Å]	1.900	1.910
Rmerge	0.053	0.329
Total number of observations	96823 *
Number of reflections	31323 *
<I/σ(I)>	17.7	2.6
Completeness [%]	95.1	91.5
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	22 *	pH 5.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	phosphate	10 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	beta-mercaptoethanol	2 (mM)
5	1	reservoir	ammonium sulfate	23 (%(w/v))
6	1	reservoir	dithiothreitol	55 (mM)
7	1	reservoir	MES	100 (mM)