8HJH

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

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)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	78.255, 76.795, 82.110
Unit cell angles	90.00, 92.63, 90.00

Refinement procedure

Resolution	35.930 - 1.760
R-factor	0.1818
Rwork	0.181
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jtd
RMSD bond length	0.013
RMSD bond angle	1.583
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.930	1.823
High resolution limit [Å]	1.760	1.760
Number of reflections	90759	8537
<I/σ(I)>	13.07
Completeness [%]	93.8
Redundancy	3.2
CC(1/2)	0.997	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	Tris-HCl, polyethylene glycol 3350, NaCl, Polypropylene glycol P400.