9LRJ

Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin and UDP2Fglucose in the presence of retinol

Replaces:  9J9CReplaces:  8J2S

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)	0.98013
Spacegroup name	P 1 21 1
Unit cell lengths	87.716, 171.782, 153.378
Unit cell angles	90.00, 93.35, 90.00

Refinement procedure

Resolution	48.890 - 3.110
R-factor	0.27064
Rwork	0.268
R-free	0.31216
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8j2v
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (Refmac5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.890	3.560
High resolution limit [Å]	3.110	3.110
Number of reflections	56153	3742
<I/σ(I)>	7	1.9
Completeness [%]	91.9	54.5
Redundancy	6.6	6.7
CC(1/2)	0.970	0.390

Crystallization Conditions

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