9JOH

COMPLEX STRUCTURE OF ENDO-1,3-FUCANASE (FUN168D) WITH FUCOTETRAOSE FROM ISOSTICHOPUS BADIONOTUS

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	2023-07-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	54.659, 138.577, 63.038
Unit cell angles	90.00, 113.77, 90.00

Refinement procedure

Resolution	30.220 - 1.360
R-factor	0.1459
Rwork	0.146
R-free	0.16320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.361
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]	69.290	1.430
High resolution limit [Å]	1.360	1.360
Rmerge	0.032	0.293
Rmeas	0.038	0.361
Rpim	0.021	0.209
Total number of observations	597467	71933
Number of reflections	182984	26739
<I/σ(I)>	17.6	2.6
Completeness [%]	99.6
Redundancy	3.3	2.7
CC(1/2)	0.999	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	24% PEG1500 +20% Glycerol