6LLW

Crystal Structure of Fagopyrum esculentum M UGT708C1 complexed with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9789
Spacegroup name	P 21 21 2
Unit cell lengths	98.308, 144.105, 69.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.190 - 2.256
R-factor	0.1727
Rwork	0.171
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2acv
RMSD bond length	0.008
RMSD bond angle	1.068
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.098	0.084	0.247
Rmeas	0.107	0.092	0.271
Rpim	0.042	0.036	0.110
Total number of observations	305071
Number of reflections	47227	2555	2314
<I/σ(I)>	13.6
Completeness [%]	99.6	98.8	99.7
Redundancy	6.5	6.2	5.9
CC(1/2)		0.992	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2M ammonium sulfate, 0.1M MES pH 7.0, 26.5%(w/v) polyethylene glycol 5000, 26%(w/v) benzamidine hydrochloride, 5mM UDP