9JP2

COMPLEX STRUCTURE OF ENDO-1,3-FUCANASE 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	2024-06-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	H 3
Unit cell lengths	148.360, 148.360, 42.028
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.830 - 2.020
R-factor	0.174
Rwork	0.170
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.938
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.830	2.120
High resolution limit [Å]	2.020	2.020
Rmerge	0.127	0.930
Rmeas	0.134	0.986
Rpim	0.043	0.323
Total number of observations	199565	20423
Number of reflections	20953	2254
<I/σ(I)>	13.6	2.4
Completeness [%]	92.0
Redundancy	9.5	9.1
CC(1/2)	0.998	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.03 M Citric acid, 0.07 M BIS-TRIS propane / pH 7.6, 20% w/v Polyethylene glycol 3,350