4REN

Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with petunidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-12
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	49.903, 55.279, 85.801
Unit cell angles	90.00, 104.60, 90.00

Refinement procedure

Resolution	46.014 - 2.704
R-factor	0.1844
Rwork	0.182
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wc4
RMSD bond length	0.003
RMSD bond angle	0.747
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.099	0.037	0.402
Number of reflections	12456
<I/σ(I)>	8.9
Completeness [%]	98.9	99.1	98.4
Redundancy	3.7	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.2M ammonium acetate, 26%(w/v) PEG 4000, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K