8J6G

Neutron structure of copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pD 9.0

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	2018-05-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	157.220, 62.144, 92.344
Unit cell angles	90.00, 112.22, 90.00

Refinement procedure

Resolution	21.370 - 1.670
R-factor	0.1995
Rwork	0.198
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wa2
RMSD bond length	0.008
RMSD bond angle	1.381
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.160
High resolution limit [Å]	1.090	3.270	1.090
Rmerge	0.052	0.048	0.264
Rmeas	0.062	0.057	0.321
Number of reflections	650618	24756	102659
<I/σ(I)>	9.58
Completeness [%]	97.4
Redundancy	3.238
CC(1/2)	0.995	0.992	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS		289	1.05 M potassium-sodium tartrate in 25 mM HEPES buffer, pH 7.4.
1	MICRODIALYSIS		289	1.05 M potassium-sodium tartrate in 25 mM HEPES buffer, pH 7.4.