8YA7

endo-1,3-fucanase Fun168A,complex with fucotetraose

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	2023-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	54.017, 67.290, 239.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.970 - 1.990
R-factor	0.1995
Rwork	0.195
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.334
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.910	2.090
High resolution limit [Å]	1.990	1.990
Rmerge	0.168	0.815
Rmeas	0.183	0.885
Rpim	0.071	0.339
Total number of observations	183912	22041
Number of reflections	28229	3350
<I/σ(I)>	8.4	2.3
Completeness [%]	91.8
Redundancy	6.5	6.6
CC(1/2)	0.994	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.2 M potassium iodide+0.1 M MES pH6.5+27% w/v PEG 4000