8HJK

Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with SIA, state 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	94.285, 72.527, 78.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.610 - 1.833
R-factor	0.1846
Rwork	0.184
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jtd
RMSD bond length	0.010
RMSD bond angle	1.475
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.610	1.899
High resolution limit [Å]	1.833	1.833
Number of reflections	47496	4684
<I/σ(I)>	11.01
Completeness [%]	99.1
Redundancy	5.9
CC(1/2)	0.996	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	TacsimateTM, Polyethylene glycol 3,350