5OR4

Crystal structure of Aspergillus oryzae catechol oxidase in deoxy-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-30
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.87260
Spacegroup name	P 1
Unit cell lengths	60.856, 81.879, 82.705
Unit cell angles	87.15, 89.04, 73.86

Refinement procedure

Resolution	47.785 - 2.445
R-factor	0.2058
Rwork	0.203
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j3p
RMSD bond length	0.006
RMSD bond angle	0.691
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.570
High resolution limit [Å]	2.430	2.430
Rmeas	0.202	0.763
Number of reflections	53530
<I/σ(I)>	6.19	1.78
Completeness [%]	92.2	80.5
Redundancy	1.76
CC(1/2)		0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	294	6 % ethylene glycol, 10 % PEG 20000, 0.1 M sodium citrate