9L6E

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-13
Detector	STFC Large Pixel Detector
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	192.790, 67.910, 140.820
Unit cell angles	90.00, 132.15, 90.00

Refinement procedure

Resolution	71.460 - 3.070
R-factor	0.2326
Rwork	0.229
R-free	0.31050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.460	3.150
High resolution limit [Å]	3.070	3.070
Rmerge	0.175	0.992
Number of reflections	25445	1846
<I/σ(I)>	8.6	1.8
Completeness [%]	99.5
Redundancy	3.2
CC(1/2)	0.994	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.02M DL-Arginine hydrochloride, 0.02M DL-Threonine, 0.02M DL-Histidine monohydrochloride monohydrate, 0.02M DL-5-Hydroxylysine hydrochloride, 0.02M trans-4-hydroxy-L-proline, 0.1 M MOPSO, 0.1 M Bis-Tris pH 6.5, 15% w/v PEG 3000, 20% v/v 1, 2, 4-Butanetriol and 2% w/v NDSB 256.