9RUM

Tetrapodal ancestor of L-amino acid oxidase:Q225A single 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	2025-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96546
Spacegroup name	P 43 21 2
Unit cell lengths	94.801, 94.801, 189.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.750 - 2.790
R-factor	0.22237
Rwork	0.219
R-free	0.28445
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.760
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]	189.170	2.940
High resolution limit [Å]	2.790	2.790
Rmerge	0.152	1.239
Rmeas	0.169	1.365
Rpim	0.069	0.552
Total number of observations	121492	17540
Number of reflections	21753	3104
<I/σ(I)>	6.7	1.1
Completeness [%]	98.4
Redundancy	5.6	5.7
CC(1/2)	0.939	0.461

Crystallization Conditions

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