7CT4

Crystal structure of D-amino acid oxidase from Rasamsonia emersonii strain YA

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]	95
Detector technology	PIXEL
Collection date	2019-03-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 61
Unit cell lengths	79.130, 79.130, 366.673
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.620 - 2.000
R-factor	0.2082
Rwork	0.206
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wgt
RMSD bond length	0.008
RMSD bond angle	1.321
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.529	45.610	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.042	1.056
Rmeas	0.105	0.046	1.175
Rpim	0.033	0.015	0.370
Total number of observations	885584	26812	128143
Number of reflections	87291	2821	12772
<I/σ(I)>	13.6	40.5	2.2
Completeness [%]	100.0	99.7	100
Redundancy	10.1	9.5	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	PEG3350, Tris-HCl, sodium formate