19GS

Glutathione s-transferase p1-1

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11-26
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	77.742, 89.984, 68.842
Unit cell angles	90.00, 97.54, 90.00

Refinement procedure

Resolution	15.000 - 1.900
R-factor	0.212
Rwork	0.212
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gss
RMSD bond length	0.008
RMSD bond angle	22.900 *
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]	40.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.273
Total number of observations	84660 *
Number of reflections	35002
<I/σ(I)>	14.3	3.5
Completeness [%]	93.3	87 *
Redundancy	2.42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	22 *	Oakley, A.J., (1997) J.Mol.Biol., 274, 84. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	phosphate	10 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	mercaptoethanol	2 (mM)
5	1	reservoir	ammonium sulfate	20-34 (%(w/v))
6	1	reservoir	dithiothreitol	50-80 (mM)
7	1	reservoir	MES	100 (mM)