7ZN6

Crystal structure of laccase-like multicopper oxidase (LMCO) from Thermothelomyces thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-08
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9763
Spacegroup name	P 43
Unit cell lengths	74.855, 74.855, 118.948
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.967 - 1.900
Rwork	0.152
R-free	0.18470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold 2.0
RMSD bond length	0.012
RMSD bond angle	1.700
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	118.950	118.950	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.105	0.062	1.028
Rmeas	0.114	0.067	1.126
Rpim	0.043	0.025	0.456
Number of reflections	51534	39344	39344
<I/σ(I)>	14.8
Completeness [%]	100.0
Redundancy	12.9	12.7	11.9
CC(1/2)	0.999	0.997	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NH4Cl 18% w/v PEG 6000 0.1 M MES pH 5.5