7PBI

4-ethylphenol oxidase from Gulosibacter chungangensis: isoeugenol complex

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	2020-10-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000041
Spacegroup name	P 21 21 21
Unit cell lengths	67.586, 228.209, 300.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.140 - 2.800
R-factor	0.2106
Rwork	0.208
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pbg
RMSD bond length	0.006
RMSD bond angle	1.463
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.140	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.192	1.887
Rmeas	0.295	2.046
Rpim	0.113	0.785
Number of reflections	115793	5628
<I/σ(I)>	7.4
Completeness [%]	99.9	99.9
Redundancy	6.8	6.7
CC(1/2)	0.990	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M NaCl and 2.2 M (NH4)2SO4.