6RYX

Copper oxidase from Colletotrichum graminicola

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	I 2 3
Unit cell lengths	172.043, 172.043, 172.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	121.650 - 2.650
R-factor	0.2241
Rwork	0.221
R-free	0.27970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c86
RMSD bond length	0.008
RMSD bond angle	1.668
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	121.650	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.215
Rpim	0.045	0.581
Number of reflections	24743	3283
<I/σ(I)>	12
Completeness [%]	100.0	100
Redundancy	24.2	23.3
CC(1/2)	0.998	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	PEG 4000, sodium acetate