9T75

Tetrapodal ancestor of L-amino acid oxidase: I224A-Q225H-P361-PREGA-L367 mutant

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	2025-11-01
Detector	DECTRIS PILATUS4 X 4M
Wavelength(s)	0.96546
Spacegroup name	P 1 21 1
Unit cell lengths	89.304, 99.532, 116.264
Unit cell angles	90.00, 95.10, 90.00

Refinement procedure

Resolution	46.670 - 2.830
R-factor	0.2254
Rwork	0.223
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.704
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	2.930
High resolution limit [Å]	2.830	2.830
Rmerge	0.224	1.276
Rmeas	0.412	0.890
Rpim	0.221	0.800
Number of reflections	48479	4723
<I/σ(I)>	3.4
Completeness [%]	99.8
Redundancy	3.4	3.5
CC(1/2)	0.934	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	293	50 mM HEPES (pH 7.4), 200 mM NaCl, and 10% (v/v) glycerol