9L63

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]	291.15
Detector technology	PIXEL
Collection date	2023-10-23
Detector	STFC Large Pixel Detector
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	193.430, 69.740, 141.690
Unit cell angles	90.00, 132.62, 90.00

Refinement procedure

Resolution	30.860 - 2.660
R-factor	0.2186
Rwork	0.216
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.040
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.240	2.730
High resolution limit [Å]	2.660	2.660
Rmerge	0.070	0.943
Number of reflections	40090	2985
<I/σ(I)>	10.4
Completeness [%]	99.6
Redundancy	3.6	3.8
CC(1/2)	0.994	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.01M Spermine tetrahydrochloride, 0.01M Spermidine trihydrochloride, 0.01M 1,4-Diaminobutane dihydrochloride, 0.01M DL-Ornithine monohydrochloride, 0.01 M MOPSO, 0.1 M Bis-Tris pH 6.5, 10% w/v PEG 8000 and 20% v/v 1,5-Pentanediol.