7DEV

Crystal Structures of Anthocyanin 5,3'-aromatic acyltransferase from Gentiana triflora

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-11
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00
Spacegroup name	I 2 2 2
Unit cell lengths	51.439, 112.992, 183.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.540 - 3.100
R-factor	0.1967
Rwork	0.191
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e1u
RMSD bond length	0.009
RMSD bond angle	1.044
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.210
High resolution limit [Å]	3.100	3.100
Number of reflections	10164	991
<I/σ(I)>	10.47
Completeness [%]	100.0
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	sodium citrate, HEPES