9L65

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	196.360, 69.220, 105.120
Unit cell angles	90.00, 118.71, 90.00

Refinement procedure

Resolution	52.460 - 1.990
R-factor	0.1792
Rwork	0.178
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.945
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.190	2.020
High resolution limit [Å]	1.970	1.970
Rmerge	0.053	0.345
Rmeas	0.059	0.400
Rpim	0.024	0.196
Total number of observations	503443	23795
Number of reflections	86592	5963
<I/σ(I)>	19.5	4.1
Completeness [%]	98.9
Redundancy	5.8	4
CC(1/2)	0.999	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING 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, 0.1M BES, 0.1 M Triethanolamine (TEA) pH 7.5, 12.5% w/v PEG 4000 and 20% w/v 1,2,6-Hexanetriol.