7F19

Structure of the G304E mutant of CueO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	76.892, 62.287, 96.653
Unit cell angles	90.00, 96.15, 90.00

Refinement procedure

Resolution	48.335 - 1.773
Rwork	0.206
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3od3
RMSD bond length	0.009
RMSD bond angle	1.589
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.993	1.880
High resolution limit [Å]	1.770	1.770
Rmeas	0.198	1.288
Number of reflections	43540	13250
<I/σ(I)>	3.95	0.48
Completeness [%]	97.8	95.1
Redundancy	1.79
CC(1/2)	0.970	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, KNO3