3WGT

Crystal structure of D-amino acid oxidase mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-29
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	68.617, 91.607, 110.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.130 - 1.880
R-factor	0.19054
Rwork	0.188
R-free	0.23031
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1AA8
RMSD bond length	0.011
RMSD bond angle	1.672
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.130	1.910
High resolution limit [Å]	1.880	1.880
Number of reflections	56667
Completeness [%]	97.7	99.8
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	30% Polyethylene glycole 4000, 0.1M TRIS hydrochloride, 0.2M Lithium sulfate monohydrate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K