9L1R

Crystal structure of AnAE in apo form, a fungal GDSL-Acetylesterase with acetylcholinesterase-like activity from Aspergillus niger

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	2023-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	78.957, 78.957, 91.867
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.380 - 1.500
R-factor	0.14871
Rwork	0.147
R-free	0.17492
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.726
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.380	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.095	0.580
Rmeas	0.100	0.630
Rpim	0.033	0.238
Number of reflections	53854	7704
<I/σ(I)>	13	2.8
Completeness [%]	99.7	99
Redundancy	9	6.8
CC(1/2)	0.997	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	288	2.0 M Ammonium sulfate, 0.1 M Tris(hydroxymethyl)aminomethane-HCl, pH 8.5