6O63

Crystal Structure of Arabidopsis thaliana Spermidine Synthase isoform 1 (AtSPDS1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-01
Detector	RAYONIX MX300-HS
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	89.536, 76.338, 90.192
Unit cell angles	90.00, 104.68, 90.00

Refinement procedure

Resolution	43.460 - 1.800
R-factor	0.16583
Rwork	0.165
R-free	0.22209
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.796
Data reduction software	XDS (version Jan 2018)
Data scaling software	STARANISO
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.600	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	0.547
Number of reflections	95958	4794
<I/σ(I)>	14.1	2.5
Completeness [%]	95.4	78.5
Redundancy	4.1	4
CC(1/2)	0.999	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	292	0.2 M ammonium sulfate, 0.1 M BIS-TRIS, 25% PEG 3350, cryoprotection 25% glycerol