5ZJA

human D-amino acid oxidase complexed with 5-chlorothiophene-2-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)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	150.294, 182.641, 51.121
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.229 - 2.600
R-factor	0.2038
Rwork	0.201
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2du8
RMSD bond length	0.004
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.230	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.197	1.786
Rpim	0.108	0.983
Number of reflections	44404	4593
<I/σ(I)>	9.7
Completeness [%]	100.0
Redundancy	8.2
CC(1/2)	0.996	0.517

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, and 10%(v/v) glycerol