9HDG

The structure of the catalytic domain of AfAA11B from the filamentous fungus Aspergillus fumigatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	46.332, 53.655, 70.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.460 - 1.260
R-factor	0.1659
Rwork	0.165
R-free	0.19590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	Aimless (0.7.15)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.460	1.300
High resolution limit [Å]	1.260	1.260
Rmerge	0.053	1.405
Rmeas	0.065
Rpim	0.038
Number of reflections	47610	4611
<I/σ(I)>	10.5
Completeness [%]	98.4	98.7
Redundancy	4.2	4.2
CC(1/2)		0.331

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295.15	Tris, Ammonium sulphate