8YA6

endo-1,3-fucanase Fun168A

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	53.703, 67.220, 239.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.610 - 1.920
R-factor	0.2163
Rwork	0.215
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.028
RMSD bond angle	1.857
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.960	1.970
High resolution limit [Å]	1.920	1.920
Rmerge	0.090	0.153
Rmeas	0.103	0.176
Rpim	0.048	0.085
Total number of observations	119400	7650
Number of reflections	32524	2137
<I/σ(I)>	11.1	6.5
Completeness [%]	97.1
Redundancy	3.7	3.6
CC(1/2)	0.991	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.2 M Sodium acetate trihydrate+0.1 M Sodium cacodylate trihydrate pH 6.5+24% w/v PEG 8000