7CYW

Crystal structure of a flavonoid C-glucosyltrasferase from Fagopyrum esculentum (FeCGTa) complexed with BrUTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	98
Detector technology	CCD
Collection date	2015-11-15
Detector	ADSC QUANTUM 270
Wavelength(s)	0.91983
Spacegroup name	P 21 21 21
Unit cell lengths	53.565, 76.010, 93.194
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.2033
Rwork	0.201
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vch
RMSD bond length	0.009
RMSD bond angle	1.467
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MR-Rosetta
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.797	3.880	1.800
Rmerge	0.127	0.080	1.007
Rmeas	0.138	0.088	1.096
Rpim	0.053	0.035	0.427
Number of reflections	35650	3509	3523
<I/σ(I)>	8.1		2.29
Completeness [%]	98.8	91.6	99.4
Redundancy	6.7	6.3	6.3
CC(1/2)		0.992	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.3	293	23% PEG 8000, 100 mM MES/Sodium hydroxyde, 300 mM Calcium acetate