7W6V

Crystal structure of a dicobalt-substituted small laccase at 2.47 angstrom

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	2020-01-13
Detector	RDI CMOS_8M
Wavelength(s)	0.9789
Spacegroup name	P 43 3 2
Unit cell lengths	178.030, 178.030, 178.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.430 - 2.470
R-factor	0.1869
Rwork	0.186
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cg8
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.510
High resolution limit [Å]	2.470	6.700	2.470
Rmerge	0.200	0.065	3.492
Rmeas	0.202	0.065	3.524
Rpim	0.023	0.008	0.474
Total number of observations	2595911
Number of reflections	35302	1989	1712
<I/σ(I)>	3.4
Completeness [%]	100.0	100	100
Redundancy	73.5	69.7	54.5
CC(1/2)		0.999	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	2% v/v PEG 400, 2.0 M ammonium sulfate, 100 mM HEPES, pH 7.5