9JOC

CRYSTAL STRUCTURE OF ENDO-1,3-FUCANASE (FUN168D) FROM GH168 FAMILY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 63
Unit cell lengths	84.449, 84.449, 93.114
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.280 - 1.290
R-factor	0.1373
Rwork	0.137
R-free	0.15650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.098
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.130	1.360
High resolution limit [Å]	1.290	1.290
Rmerge	0.042	0.374
Rmeas	0.044	0.435
Rpim	0.014	0.218
Total number of observations		46926
Number of reflections	93037	12605
<I/σ(I)>	25.1	2.7
Completeness [%]	98.7
Redundancy	8.7	3.7
CC(1/2)	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.2M Ammonium chloride, 20% w/v Polyethylene glycol 3,350, pH 6.3