9VSK

Crystal structure of anthocyanin 4'-O-methyltransferase from Vitis vinifera L.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	67.592, 199.159, 95.332
Unit cell angles	90.00, 101.67, 90.00

Refinement procedure

Resolution	46.680 - 2.780
R-factor	0.2499
Rwork	0.247
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.748
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.580	2.930
High resolution limit [Å]	2.780	2.780
Rmerge	0.148	0.725
Rmeas	0.167
Rpim	0.075
Number of reflections	60305	7800
<I/σ(I)>	7.1
Completeness [%]	97.6
Redundancy	4.7
CC(1/2)	0.985	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% v/v polyethylene glycol 200, 0.1 M Bis-Tris propane pH 9.0, 18% w/v polyethylene glycol 8000