7Y8B

Crystal structure of CotA laccase complexed with syringic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	53.083, 118.859, 82.966
Unit cell angles	90.00, 94.40, 90.00

Refinement procedure

Resolution	43.080 - 2.000
R-factor	0.1686
Rwork	0.166
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q89
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.390
Number of reflections	67401	4409
<I/σ(I)>	12.1	2.9
Completeness [%]	97.5
Redundancy	4.9
CC(1/2)	0.995	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	12-15.5% PEG3350, 0.1M MgCl2, 0.1M pH 6.5 Bis-tris, VAPOR DIFFUSION, HANGING DROP, temperature 291K