7U9U

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	2019-09-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9765
Spacegroup name	P 21 21 2
Unit cell lengths	122.806, 73.403, 79.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.560 - 1.660
Rwork	0.202
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2du8
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PRIME-X

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.450	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.061	2.074
Rmeas	0.067	2.253
Rpim	0.026	0.868
Total number of observations	559017
Number of reflections	85786	4218
<I/σ(I)>	14.3
Completeness [%]	99.9	100
Redundancy	6.5	6.6
CC(1/2)	0.999	0.315

Crystallization Conditions

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