6IJ7

Crystal Structure of Arabidopsis thaliana UGT89C1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-30
Detector	Nonius Kappa CCD
Wavelength(s)	0.97775
Spacegroup name	I 41
Unit cell lengths	80.647, 80.647, 340.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.364 - 2.701
R-factor	0.2196
Rwork	0.217
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2acv
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.119	0.072	0.571
Rmeas	0.129	0.079	0.626
Rpim	0.049	0.031	0.253
Total number of observations	199886
Number of reflections	29577	2983	2951
<I/σ(I)>	4.2
Completeness [%]	99.9	100	99.5
Redundancy	6.8	6.7	5.7
CC(1/2)		0.996	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.2M ammonium sulfate, 0.1M sodium cacodylate pH 6.0, 25%(w/v) PEG8000 and 3%(v/v) ethylene glycol