8R4F

Crystal structure of the native copper efflux oxidase (CueO) from Hafnia alvei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	90.530, 167.277, 229.621
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.560 - 3.186
R-factor	0.218
Rwork	0.216
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (26-JUL-2023))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	3.360
High resolution limit [Å]	3.180	3.180
Number of reflections	59157	8526
<I/σ(I)>	8.8
Completeness [%]	99.9
Redundancy	7.6
CC(1/2)	0.993	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	100 mM Sodium citrate/ Citric acid pH 5.5, 20% (w/v) PEG 3000