9H8P

Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, mutant DTT

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	2024-09-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9655
Spacegroup name	P 1
Unit cell lengths	90.348, 110.228, 117.259
Unit cell angles	89.75, 89.50, 68.43

Refinement procedure

Resolution	102.720 - 1.470
R-factor	0.15002
Rwork	0.149
R-free	0.16541
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.871
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]	117.250	1.490
High resolution limit [Å]	1.470	1.470
Rmerge	0.139	0.882
Rmeas	0.166	1.067
Rpim	0.089	0.589
Total number of observations	2261502	60758
Number of reflections	664608	19673
<I/σ(I)>	6	1.5
Completeness [%]	92.2
Redundancy	3.4	3.1
CC(1/2)	0.973	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	41-46% 2-Methyl-2,4-pentanediol (MPD, hexylene glycol) and 0.1 M bis-tris propane pH 6.8.