9GOZ

4-Allyl syringol oxidase from Streptomyces cavernae: complex with eugenol

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	2022-04-14
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96546
Spacegroup name	P 65
Unit cell lengths	83.259, 83.259, 297.519
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.860 - 1.400
R-factor	0.188
Rwork	0.187
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.721
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.890	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.124	0.817
Rmeas	0.133	0.873
Rpim	0.048	0.307
Total number of observations		90175
Number of reflections	228072	11284
<I/σ(I)>	7.9	1.2
Completeness [%]	100.0
Redundancy	7.7	8
CC(1/2)	0.995	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	293	0.06 M MgCl2 6 H2O, CaCl2 2 H2O, 0.1 M Tris, bicine, 20% glycerol, 10% PEG 4000