8ZI7

Crystal structure of SrUGT76G4 in complex with Rubusoside

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	2022-10-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97914
Spacegroup name	P 21 21 21
Unit cell lengths	74.026, 77.228, 86.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.500 - 2.100
R-factor	0.1853
Rwork	0.183
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.684
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.500	2.220
High resolution limit [Å]	2.100	2.100
Rmerge	0.085	0.927
Rmeas	0.093	1.001
Rpim	0.036	0.369
Total number of observations	180199	28943
Number of reflections	28050	4198
<I/σ(I)>	12	2.6
Completeness [%]	95.7
Redundancy	6.4	6.9
CC(1/2)	0.997	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	293	0.2 M NaSCN, 0.1 M NaCitrate pH5.5, 10-35% PEG3350, 8% D-Sorbitol