9J9K

Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin and UDP2F glucose

Replaces:  8J2T

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	2022-12-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	I 1 2 1
Unit cell lengths	101.607, 114.919, 104.249
Unit cell angles	90.00, 103.12, 90.00

Refinement procedure

Resolution	46.830 - 3.150
R-factor	0.1925
Rwork	0.190
R-free	0.25828
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8j2v
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (Refmac5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.830	3.260
High resolution limit [Å]	3.150	3.150
Number of reflections	19895	3327
<I/σ(I)>	5.2
Completeness [%]	97.5
Redundancy	6.9
CC(1/2)	0.990	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M Lithium sulfate, 0.1 M Tris pH 8.5, 30% w/vPEG 4000