8J2S

Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin, UDP-2F Glucose and Retinol

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	P 1 21 1
Unit cell lengths	87.130, 170.390, 152.130
Unit cell angles	90.00, 93.39, 90.00

Refinement procedure

Resolution	48.570 - 3.260
R-factor	0.305
Rwork	0.303
R-free	0.34200
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.570	3.380
High resolution limit [Å]	3.260	3.260
Number of reflections	67170	3322
<I/σ(I)>	7.52
Completeness [%]	97.2
Redundancy	7
CC(1/2)	0.993	0.130

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate pH 6.5, 15% w/v PEG 6000