8BAM

Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, tenfold mutant active on propanol syringol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965459
Spacegroup name	P 21 21 21
Unit cell lengths	57.654, 98.058, 177.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.700 - 1.650
R-factor	0.1741
Rwork	0.172
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fxd
RMSD bond length	0.007
RMSD bond angle	0.945
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3546)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.700	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.093	1.023
Number of reflections	120308	5385
<I/σ(I)>	12.8	1.7
Completeness [%]	99.5	91.1
Redundancy	6.4	5.9
CC(1/2)	0.998	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M TrizmaHCl pH 8.0, 25% PEG6000