3W4J

Crystal Structure of human DAAO in complex with coumpound 12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-22
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	149.249, 182.325, 50.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.740
R-factor	0.2144
Rwork	0.210
R-free	0.28980
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	115.490	50.000	2.840
High resolution limit [Å]	2.740	5.900	2.740
Rmerge	0.049	0.019	0.428
Number of reflections	36583
<I/σ(I)>	12.8
Completeness [%]	97.5	97.7	94.4
Redundancy	5.4	5.4	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	8	298	10-15% (w/v) PEG 4000, 0.1M sodium citrate pH 8.0, 0.2M ammonium dihydrogen phosphate, 10% (v/v) glycerol, sitting drop vapor diffusion, temperature 298K