6LPV

structure of Spermidine hydroxycinnamoyl transferases from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	81
Detector technology	CCD
Collection date	2013-01-16
Detector	Nonius Kappa CCD
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	57.364, 90.433, 95.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.140 - 2.297
R-factor	0.2053
Rwork	0.203
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g0b
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.290	2.290
Rmerge	0.090
Number of reflections	22640	22640
<I/σ(I)>	15.94
Completeness [%]	99.4
Redundancy	2
CC(1/2)		0.090

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M ammonium sulfate, 0.1M Tris-HCl (pH 8.5), 25% W/V PEG 3350 at 20