6O65

Crystal Structure of Arabidopsis thaliana Spermidine Synthase isoform 1 (AtSPDS1) in complex with decarboxylated S-adenosylmethionine and cyclohexylamine

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	2019-02-15
Detector	RAYONIX MX300-HS
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	89.201, 107.558, 142.424
Unit cell angles	90.00, 95.30, 90.00

Refinement procedure

Resolution	47.600 - 1.800
R-factor	0.21905
Rwork	0.219
R-free	0.26095
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.975
Data reduction software	XDS (Version Jan 26, 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]	47.600	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.089	0.413
Number of reflections	200872	10041
<I/σ(I)>	8.2	2.7
Completeness [%]	93.4	95.5
Redundancy	3.3	3.5
CC(1/2)	0.997	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	292	0.18 M ammonium sulfate, 0.09 M BIS-TRIS, 22% PEG 3350, cryoprotection 25% MPD