8P4G

Crystal structure of a multicopper oxidase 3F3 variant from Pyrobaculum aerophilum

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 41 21 2
Unit cell lengths	128.395, 128.395, 124.965
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.450 - 2.590
R-factor	0.2138
Rwork	0.213
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.577
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MoRDa
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.450	2.690
High resolution limit [Å]	2.590	2.590
Number of reflections	32726	5178
<I/σ(I)>	7.48
Completeness [%]	99.1
Redundancy	5.5
CC(1/2)	0.986	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	2.0 M Ammonium sulfate, 0.1 M Sodium HEPES pH 7.5, and 2 % (v/v) PEG 400.