8HJN

Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with UPG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	64.220, 80.095, 172.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.510 - 3.200
R-factor	0.2377
Rwork	0.235
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jtd
RMSD bond length	0.004
RMSD bond angle	0.967
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]	72.650	3.315
High resolution limit [Å]	3.200	3.200
Number of reflections	13825	1341
<I/σ(I)>	6.55
Completeness [%]	90.2
Redundancy	7
CC(1/2)	0.988	0.837

Crystallization Conditions

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