1DXQ

CRYSTAL STRUCTURE OF MOUSE NAD[P]H-QUINONE OXIDOREDUCTASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	R-AXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	54.960, 171.620, 67.140
Unit cell angles	90.00, 112.30, 90.00

Refinement procedure

Resolution	42.980 - 2.800
R-factor	0.207
Rwork	0.207
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qrd
RMSD bond length	0.010
RMSD bond angle	21.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall
Low resolution limit [Å]	42.980
High resolution limit [Å]	2.800
Rmerge	0.100 *
Number of reflections	18847
Completeness [%]	80.0 *
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	25 *	pH 8.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	drop	Tris-HCl	25 (mM)
3	1	drop	FAD	0.005 (mM)
4	1	reservoir	PEG3350	30 (%)
5	1	reservoir	sodium acetate	200 (mM)
6	1	reservoir	sodium tricine	100 (mg/ml)
7	1	reservoir	FAD	0.012-0.024 (mM)