1K4Q

Human Glutathione Reductase Inactivated by Peroxynitrite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-07-20
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	119.750, 63.650, 84.710
Unit cell angles	90.00, 58.42, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.166 *
Rwork	0.166
R-free	0.20400
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005 *
RMSD bond angle	1.200 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.071	0.353 *
Number of reflections	41212
<I/σ(I)>	10.6	2.2
Completeness [%]	96.1	94.4
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	30 *	Ammonium Sulfate, Potassium Phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	ammonium sulfate	120 (mM)
3	1	drop	potassium phosphate	100 (mM)	pH7.5
4	1	reservoir	ammonium sulfate	720 (mM)
5	1	reservoir	potassium phosphate	100 (mM)	pH8.0