8ITA

A reversible glycosyltransferase of tectorigenin - Bc7OUGT complexed with UDP and tectorigenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 2 21 21
Unit cell lengths	49.238, 83.474, 158.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.840 - 2.500
R-factor	0.2212
Rwork	0.218
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.082
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.840	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.086	0.865
Number of reflections	18983	2219
<I/σ(I)>	8
Completeness [%]	82.0
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.17M Lithium sulfate monohydrate, 0.085M Tris hydrochloride pH8.5, 25.5% w/v PEG 4000