6KBP

Crystal structure of human D-amino acid oxidase mutant (P219L) complexed with benzoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	149.493, 182.783, 51.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.300 - 2.250
R-factor	0.1917
Rwork	0.189
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2du8
RMSD bond length	0.009
RMSD bond angle	1.163
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.300
High resolution limit [Å]	2.250	2.250
Rmerge	0.061	0.920
Rmeas	0.066	1.002
Rpim	0.026	0.392
Number of reflections	67535	4496
<I/σ(I)>	21.3	2.2
Completeness [%]	99.9	100
Redundancy	6.6	6.4
CC(1/2)	1.000	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	288	0.2 M ammonium acetate 12.5% (w/v) polyethylene glycol 4000 10% (v/v) glycerol 0.1 M sodium citrate, pH 8.0