6JEL

Structure of Phytolacca americana apo UGT2

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	2017-10-08
Detector	RAYONIX MX300HE
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	91.687, 94.822, 115.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.640 - 2.300
R-factor	0.22152
Rwork	0.220
R-free	0.25113
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vch
RMSD bond length	0.006
RMSD bond angle	1.034
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	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.072	0.959
Rmeas	0.078	1.030
Number of reflections	45171	2216
<I/σ(I)>	28.5	2.2
Completeness [%]	99.9	100
Redundancy	7.4	7.5
CC(1/2)		0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M magnesium formate 0.1 M MOPS pH 7.0 17% w/v PEG 3350