9EXJ

Crystal structure of Aspergillus fumigatus AA11 Lytic Polysaccharide Monooxygenase (AfAA11B) in complex with Cu(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	46.414, 53.777, 71.834
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.050 - 1.400
R-factor	0.1531
Rwork	0.151
R-free	0.19070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.043
Data reduction software	autoPROC (1.19_4092)
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.050	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.055	0.588
Number of reflections	36084	1748
<I/σ(I)>	9.1	1.2
Completeness [%]	99.9
Redundancy	1.9	1.9
CC(1/2)	0.997	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Tris pH 8.5, 2 M ammonium sulphate