8J2V

Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	83.580, 103.660, 54.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.940 - 2.000
R-factor	0.191
Rwork	0.189
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.940	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	31435	2558
<I/σ(I)>	19.02
Completeness [%]	96.9
Redundancy	10.6
CC(1/2)	0.999	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M Ammonium sulfate, 0.1 M MES pH 6.5, 30 % w/v PEG 5000 MME