1F2E

STRUCTURE OF SPHINGOMONAD, GLUTATHIONE S-TRANSFERASE COMPLEXED WITH GLUTATHIONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-09-20
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	97.505, 44.792, 116.459
Unit cell angles	90.00, 98.60, 90.00

Refinement procedure

Resolution	39.090 - 2.300
R-factor	0.198
Rwork	0.198
R-free	0.23600
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.071	0.187
Number of reflections	43934
<I/σ(I)>	19.1
Completeness [%]	97.8	97
Redundancy	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	46% ammonium sulfate, 12 mM glutathione, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K