7PBG

4-ethylphenol oxidase from Gulosibacter chungangensis: native structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999869
Spacegroup name	C 1 2 1
Unit cell lengths	151.134, 96.080, 87.636
Unit cell angles	90.00, 115.65, 90.00

Refinement procedure

Resolution	44.230 - 1.600
R-factor	0.1822
Rwork	0.181
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fxd
RMSD bond length	0.012
RMSD bond angle	1.655
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]	44.230	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.083	0.642
Rmeas	0.092	0.738
Rpim	0.039	0.353
Number of reflections	140211	6353
<I/σ(I)>	9.8
Completeness [%]	94.5	86.4
Redundancy	4.9	3.9
CC(1/2)	0.996	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Trizma pH 8.0, 24% PEG 6000