9GOV

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.965459
Spacegroup name	P 65
Unit cell lengths	82.993, 82.993, 297.577
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.840 - 2.000
R-factor	0.18589
Rwork	0.184
R-free	0.22921
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.636
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]	45.880	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.092	0.810
Rmeas	0.107	0.933
Rpim	0.053	0.459
Total number of observations		18567
Number of reflections	77465	4585
<I/σ(I)>	8.8	1.6
Completeness [%]	99.4
Redundancy	4	4
CC(1/2)	0.996	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.06 M of MgCl26 H2O, CaCl2 2 H2O, 0.1 M Tris, bicine, 20% glycerol, 10% PEG 4000