7ZF0

Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976254
Spacegroup name	P 21 21 21
Unit cell lengths	76.630, 91.380, 92.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.690 - 1.500
R-factor	0.1896
Rwork	0.189
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zer
RMSD bond length	0.010
RMSD bond angle	1.071
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.690	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	104591	10304
<I/σ(I)>	13.55
Completeness [%]	99.9
Redundancy	5.6
CC(1/2)	0.999	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MES/imidazole, 12.5% (w/v) PEG8000, 12.5% (v/v) ethylene glycol, 120 mM MORPHEUS monosaccharides mix