6LLG

Crystal Structure of Fagopyrum esculentum M UGT708C1

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)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	98.745, 144.247, 69.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.963 - 2.100
R-factor	0.1751
Rwork	0.174
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2acv
RMSD bond length	0.008
RMSD bond angle	1.117
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	2.140
High resolution limit [Å]	2.099	5.700	2.100
Rmerge	0.114	0.075	0.623
Rmeas	0.124	0.083	0.676
Rpim	0.049	0.033	0.260
Number of reflections	58782	3154	2896
<I/σ(I)>	5.3
Completeness [%]	99.5	98.5	99.8
Redundancy	6.4	6.1	6.6
CC(1/2)		0.995	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M ammonium sulfate, 0.1 M MES pH 7.0, 26.5% (w/v) polyethylene glycol 5000, 20% (w/v) benzamidine hydrochloride