1DNC

HUMAN GLUTATHIONE REDUCTASE MODIFIED BY DIGLUTATHIONE-DINITROSO-IRON

Experimental procedure

Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1996-08
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	C 1 2 1
Unit cell lengths	120.080, 63.400, 84.700
Unit cell angles	90.00, 58.33, 90.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.205
Rwork	0.205
R-free	0.24800
RMSD bond length	0.010
RMSD bond angle	1.520
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.093 *	0.329 *
Total number of observations	239537 *
Number of reflections	58100
<I/σ(I)>	14.7	2
Completeness [%]	97.0	75
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	drop	ammonium sulfate	120 (mM)
3	1	drop	potassium phosphate	100 (mM)
4	1	drop	beta-octyl glucoside	0.1 (%)
5	1	reservoir	ammonium sulfate	720 (mM)
6	1	reservoir	potassium phosphate	100 (mM)