9RVJ

Tetrapodal ancestor of L-amino acid oxidases: W377I double 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	94.234, 94.234, 191.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.120 - 2.300
R-factor	0.17882
Rwork	0.177
R-free	0.21707
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.773
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.120	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.116	1.081
Rmeas	0.125	1.158
Rpim	0.044	0.401
Total number of observations	293617	29517
Number of reflections	38980	3752
<I/σ(I)>	14	2
Completeness [%]	99.5
Redundancy	7.5	7.9
CC(1/2)	0.998	0.579

Crystallization Conditions

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