9RVH

Tetrapodal ancestor of L-amino acid oxidase: Q225A-Loop (P361-PREGA-L367) mutant with phenylalanine

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	2025-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96546
Spacegroup name	P 43 21 2
Unit cell lengths	94.405, 94.405, 189.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.490 - 2.230
R-factor	0.20295
Rwork	0.201
R-free	0.23652
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.723
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.400	2.300
High resolution limit [Å]	2.230	2.230
Rmerge	0.084	1.731
Rmeas	0.091	1.876
Rpim	0.034	0.712
Total number of observations	286718	24743
Number of reflections	41699	3694
<I/σ(I)>	10.2	0.8
Completeness [%]	98.4
Redundancy	6.9	6.7
CC(1/2)	0.966	0.439

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.2 M sodium nitrate, 20% PEG3350