2QX6

Crystal Structure of Quinone Reductase II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	56.530, 83.617, 106.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.750
Rwork	0.191
R-free	0.22000
RMSD bond length	0.019
RMSD bond angle	1.444
Data reduction software	HKL-2000
Data scaling software	XSCALE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.750	1.750
Rmerge	0.072	0.632
Number of reflections	50120	11325
<I/σ(I)>	8.62	1.2
Completeness [%]	93.5	71.5
Redundancy		29.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	BisTris, NaCl, Ammonium sulfate, FAD, DTT, Melatonin, Glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K