4QOH

Crystal structure of fad quinone reductase 2 in complex with resveratrol at 1.6A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	298
Detector technology	PIXEL
Collection date	2013-03-22
Detector	PSI PILATUS 6M
Wavelength(s)	0.9997
Spacegroup name	P 21 21 21
Unit cell lengths	56.690, 82.270, 106.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.680 - 1.600
R-factor	0.20386
Rwork	0.202
R-free	0.23821
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qwx
RMSD bond length	0.022
RMSD bond angle	2.337
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.680	1.690
High resolution limit [Å]	1.600	1.600
Number of reflections	61722
<I/σ(I)>		1.63
Completeness [%]	97.4	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M HEPES PH7, 1.4M AmSO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K