9J9C

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

Replaces:  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)	0.987
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	48.530 - 3.100
R-factor	0.25939
Rwork	0.256
R-free	0.31784
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8j2v
RMSD bond length	0.007
RMSD bond angle	2.016
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.530	3.210
High resolution limit [Å]	3.100	3.100
Number of reflections	79381	253
<I/σ(I)>	6.7	0.4
Completeness [%]	78.4
Redundancy	7.1
CC(1/2)	0.994	0.100

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