6SYY

Crystal structure of McoA multicopper oxidase from the hyperthermophile Aquifex aeolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	52.920, 98.927, 98.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.663 - 1.794
R-factor	0.1922
Rwork	0.192
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aw5
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.663	1.794
High resolution limit [Å]	1.790	1.790
Rmeas	0.145	0.910
Number of reflections	42821	13545
<I/σ(I)>	8.95
Completeness [%]	99.0
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG 1500