9KOL

Crystal structure of a Ruthenium and Copper-substituted small laccase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CMOS
Collection date	2023-01-31
Detector	RDI CMOS_8M
Wavelength(s)	0.9789
Spacegroup name	P 43 3 2
Unit cell lengths	177.441, 177.441, 177.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.910 - 2.100
R-factor	0.16951
Rwork	0.169
R-free	0.18794
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cg8
RMSD bond length	0.013
RMSD bond angle	2.185
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.910	30.910
High resolution limit [Å]	2.100	2.100
Rmerge	0.191	0.191
Number of reflections	55922	3836
<I/σ(I)>	21
Completeness [%]	99.8
Redundancy	43.1
CC(1/2)	0.996	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	1.8 M ammonium sulfate, 0.1 M Bis-Tris, pH 6.5, 2% v/v polyethylene glycol monomethyl ether 550