8HJL

Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with M3E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	78.633, 76.161, 82.254
Unit cell angles	90.00, 92.59, 90.00

Refinement procedure

Resolution	24.630 - 1.720
R-factor	0.2125
Rwork	0.210
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jtd
RMSD bond length	0.007
RMSD bond angle	1.079
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.071
High resolution limit [Å]	1.720	2.000
Number of reflections	101044	5425
<I/σ(I)>	25.55
Completeness [%]	90.9
Redundancy	6.5
CC(1/2)	0.998	0.998

Crystallization Conditions

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