9HXT

Crystal structure of bifunctional catalase-phenol oxidase from a marine-derived Cladosporium species

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	2023-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	92.549, 92.663, 169.229
Unit cell angles	83.31, 78.18, 60.33

Refinement procedure

Resolution	82.944 - 1.600
Rwork	0.199
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.939
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.944	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.061	0.729
Rmeas	0.086	1.032
Rpim	0.061	0.729
Number of reflections	577755	26249
<I/σ(I)>	7
Completeness [%]	91.3
Redundancy	3	3.7
CC(1/2)	0.995	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% w/v PEG 20000, 20% v/v PEG MME 550, 0.02 M of each amino acid, 0.1 M MES/imidazole pH 6.5 Aminoacids: sodium L-glutamate, 0.2 M DL-alanine, 0.2 M glycine, 0.2 M DL-lysine HCl, 0.2 M DL-serine.