7VEK

Crystal structure of Phytolacca americana UGT3 with capsaicin and UDP-2fluoroglucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	94.276, 103.022, 109.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.620 - 2.600
R-factor	0.207
Rwork	0.204
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzy
RMSD bond length	0.004
RMSD bond angle	0.716
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.070	0.590
Rmeas	0.070	0.640
Rpim	0.030	0.240
Number of reflections	33493	3286
<I/σ(I)>	17.86	3.12
Completeness [%]	99.6	99.36
Redundancy	6.8	7.1
CC(1/2)	0.990	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.15-0.20 M potassium acetate 20% (w/v) PEG 3350