9L62

A novel allosteric covalent inhibitory site of fucosyltransferase 8 revealed by crystal structures

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	2023-06-04
Detector	STFC Large Pixel Detector
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	193.626, 68.831, 142.553
Unit cell angles	90.00, 132.67, 90.00

Refinement procedure

Resolution	52.410 - 3.040
R-factor	0.2193
Rwork	0.214
R-free	0.27640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.283
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.810	3.200
High resolution limit [Å]	3.040	3.040
Rmerge	0.092	0.426
Number of reflections	26322	3910
<I/σ(I)>	6.1
Completeness [%]	97.5
Redundancy	3.1
CC(1/2)	0.865	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.02M Xylitol, 0.02M Myo-Inositol, 0.02M D-(-)- Fructose, 0.02M L-Rhamnose monohydrate, 0.02M D-Sorbitol, 0.1 M MOPSO, 0.1 M Bis-Tris pH 6.5, 10% w/v PEG 8000 and 20% v/v 1,5-Pentanediol