7U9S

Crystal structure of human D-amino acid oxidase in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9765
Spacegroup name	P 21 21 2
Unit cell lengths	123.091, 73.155, 80.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.820 - 2.100
Rwork	0.257
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2du8
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PRIME-X

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.480	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.153	1.857
Rmeas	0.164	1.996
Rpim	0.060	0.727
Total number of observations	315754
Number of reflections	43047	3488
<I/σ(I)>	10.8
Completeness [%]	100.0	100
Redundancy	7.3	7.4
CC(1/2)	0.998	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	1M Succinate pH 7.0, 0.1M Tris