9QSN

Tetrapodal ancestor of L-amino acid oxidases co-crystallized with indole-3-acetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96546
Spacegroup name	P 43 21 2
Unit cell lengths	94.312, 94.312, 190.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.200 - 2.340
R-factor	0.20555
Rwork	0.204
R-free	0.24151
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.473
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.420
High resolution limit [Å]	2.340	2.340
Rmerge	0.141	1.712
Rmeas	0.147	1.200
Rpim	0.041	0.518
Number of reflections	37106	3558
<I/σ(I)>	11
Completeness [%]	99.9
Redundancy	12.7	11.7
CC(1/2)	0.995	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	50 mM HEPES (pH 7.4), 500 mM NaCl, and 10% (v/v) glycerol, 10 mM indole-3-acetic acid