9T1L

Tetrapodal ancestor of L-amino acid oxidases: W377I mutant bound to 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	2025-06-23
Detector	DECTRIS PILATUS4 X 4M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	74.531, 211.752, 62.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.950 - 1.840
R-factor	0.21389
Rwork	0.212
R-free	0.25397
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.548
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.950	1.900
High resolution limit [Å]	1.840	1.840
Rmerge	0.156	1.128
Rpim	0.074	0.561
Number of reflections	86833	8423
<I/σ(I)>	7.1	1.3
Completeness [%]	100.0	99.9
Redundancy	6.4	6.1
CC(1/2)	0.999	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	50 mM HEPES, 500 mM NaCl, and 10% (v/v) glycerol