7F0V

Structure of the M305I 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	P 1
Unit cell lengths	49.798, 49.922, 95.933
Unit cell angles	86.98, 80.63, 70.53

Refinement procedure

Resolution	47.371 - 1.494
Rwork	0.187
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3od3
RMSD bond length	0.010
RMSD bond angle	1.718
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]	47.371	1.580
High resolution limit [Å]	1.494	1.494
Rmeas		1.065
Number of reflections	132574	42045
<I/σ(I)>	5.63
Completeness [%]	92.8	93.3
Redundancy	8.7
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, KNO3