9ENK

L-amino acid oxidase 4 (HcLAAO4) from the fungus Hebeloma cylindrosporum in complex with L-phenylalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 1 21 1
Unit cell lengths	84.700, 131.730, 107.460
Unit cell angles	90.00, 96.04, 90.00

Refinement procedure

Resolution	40.670 - 2.200
R-factor	0.1718
Rwork	0.170
R-free	0.20160
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.595
Data reduction software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Data scaling software	XSCALE (VERSION Jun 30, 2023 BUILT=20230630)
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.200	2.200
Rmeas	0.069	1.216
Number of reflections	117122	8699
<I/σ(I)>	19.43	2.27
Completeness [%]	98.6	99.5
Redundancy	7.15	7.34
CC(1/2)	0.999	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	protein: 10 mg/ml; reservoir solution: 2.2 M (NH4)2SO4, 0.1 M sodium citrate, pH 6.4; drop with 500 nl protein + 500 nl reservoir