6JEN

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

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	2018-05-27
Detector	RAYONIX MX300HE
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	56.718, 136.883, 205.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.680 - 2.650
R-factor	0.19699
Rwork	0.194
R-free	0.24763
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vch
RMSD bond length	0.009
RMSD bond angle	1.551
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.071
Rmeas	0.077
Number of reflections	47340	4530
<I/σ(I)>	15.7	2
Completeness [%]	99.8	98.6
Redundancy	6.6
CC(1/2)		0.694

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 23-25% w/v PEG 6000