2QR2

HUMAN QUINONE REDUCTASE TYPE 2, COMPLEX WITH MENADIONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	1998-09-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	83.600, 106.270, 56.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.450
R-factor	0.212 *
Rwork	0.218
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	22.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.560
High resolution limit [Å]	2.450	2.450
Rmerge	0.085 *	0.465 *
Total number of observations	101551 *
Number of reflections	18052
<I/σ(I)>	23	2.9
Completeness [%]	97.6	85.8
Redundancy	5.6	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	18 *	pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	menadione	0.200 (mM)
2	1	reservoir	ammonium sulfate	1.66 (M)
3	1	reservoir	sodium HEPES	10 (mM)
4	1	reservoir	FAD	0.012 (mM)
5	1	reservoir	dithiothreitol	5 (mM)