6JEM

Structure of Phytolacca americana UGT2 complexed with UDP-2fluoro-glucose and resveratrol

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	CCD
Collection date	2017-12-16
Detector	RAYONIX MX300HE
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	57.374, 137.616, 208.956
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.850 - 2.600
R-factor	0.19573
Rwork	0.193
R-free	0.25225
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vch
RMSD bond length	0.009
RMSD bond angle	1.558
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.086
Rmeas	0.040	0.514
Number of reflections	51665	2535
<I/σ(I)>	25.9	1.5
Completeness [%]	99.0	100
Redundancy	6.8	7.2
CC(1/2)		0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.11 M potassium citrate 0.06 M lithium citrate 0.11 M sodium phosphate 23% w/v PEG 6000