1XJ5

X-RAY STRUCTURE OF SPERMIDINE SYNTHASE FROM ARABIDOPSIS THALIANA GENE AT1G23820

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	110
Detector technology	CCD
Collection date	2004-07-31
Detector	APS-1
Wavelength(s)	0.97935
Spacegroup name	P 1 21 1
Unit cell lengths	88.814, 95.207, 89.164
Unit cell angles	90.00, 104.96, 90.00

Refinement procedure

Resolution	26.290 - 2.700
Rwork	0.188
R-free	0.24500
Structure solution method	SAD, MOLECULAR REPLACEMENT
Starting model (for MR)	1jq3
RMSD bond length	0.156
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.290	50.000	2.760
High resolution limit [Å]	2.660	6.650	2.700
Rmerge	0.082	0.057	0.338
Total number of observations		2588	2640
Number of reflections	39682
<I/σ(I)>	10.3		4.1
Completeness [%]	96.8	91.9	96.3
Redundancy	6.1		5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	10 MG/ML PROTEIN, 24 PERCENT MEPEG 2K, 0.160 M POTASSIUM GLUTAMATE, 0.100M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K