6TTD

Crystal structure of McoA multicopper oxidase 2F4 variant from the hyperthermophile Aquifex aeolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	63.200, 89.580, 86.850
Unit cell angles	90.00, 106.07, 90.00

Refinement procedure

Resolution	48.220 - 1.801
R-factor	0.1604
Rwork	0.160
R-free	0.16040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aw5
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.220	1.900
High resolution limit [Å]	1.801	1.801
Rmeas	0.125	0.950
Number of reflections	169152	56362
<I/σ(I)>	10.39
Completeness [%]	99.0
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	One week, 20C, 2 M ammonium sulfate, 15mg/mL protein