5ZJ9

human D-amino acid oxidase complexed with 5-chlorothiophene-3-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	150.140, 182.730, 51.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.150 - 2.600
R-factor	0.2206
Rwork	0.219
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2du8
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.12)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.150	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.230	1.348
Rpim	0.126	0.741
Number of reflections	44351	4577
<I/σ(I)>	9.5
Completeness [%]	100.0
Redundancy	8
CC(1/2)	0.993	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15%(w/v) PEG 4000, 0.2M ammonium acetate, 0.1M Na citrate at pH 8.0, 10%(v/v) glycerol.