1IYZ

Crystal Structures of the Quinone Oxidoreductase from Thermus thermophilus HB8 and Its Complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-29
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 61 2 2
Unit cell lengths	77.633, 77.633, 235.614
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 * - 2.800
R-factor	0.2235
Rwork	0.219
R-free	0.25600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	24.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.116 *	0.205 *
Total number of observations	278044 *
Number of reflections	11091 *
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	293	Shimomura, Y., (2002) Acta Crystallogr.,Sect.D, 58, 1365. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.4 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH8.0
3	1	drop		150 (mM)
4	1	drop	dithiothreitol	1 (mM)