6IJ9

Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with UDP

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	92.979, 84.141, 129.146
Unit cell angles	90.00, 108.90, 90.00

Refinement procedure

Resolution	29.931 - 3.000
R-factor	0.22
Rwork	0.217
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ij7
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.083	0.039	0.616
Rmeas	0.098	0.046	0.730
Rpim	0.052	0.025	0.387
Total number of observations	134011
Number of reflections	39311	4023	3877
<I/σ(I)>	6.1
Completeness [%]	98.7	98	97.4
Redundancy	3.4	3.3	3.4
CC(1/2)		0.997	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M ammonium sulfate, 0.1M HEPES pH 7.5, 20%(w/v) PEG8000 and 10%(v/v) 2-propanol