9JP3

COMPLEX STRUCTURE OF ENDO-1,3-FUCANASE MUTANT D171A 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	2024-09-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	H 3
Unit cell lengths	152.782, 152.782, 42.337
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.100 - 1.400
R-factor	0.1577
Rwork	0.157
R-free	0.17410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.122
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]	44.100	1.470
High resolution limit [Å]	1.400	1.400
Rmerge	0.070	0.657
Rmeas	0.074	0.708
Rpim	0.024	0.258
Total number of observations	693360	75097
Number of reflections	72761	10449
<I/σ(I)>	17.8	2.8
Completeness [%]	99.7
Redundancy	9.5	7.2
CC(1/2)	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	30% (w/v) PEG 3000, 100 mM CHES/ Sodium hydroxide pH 9.5