1INL

Crystal Structure of Spermidine Synthase from Thermotoga Maritima

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-28
Detector	SBC-2
Wavelength(s)	0.97925, 0.97938, 0.99187
Spacegroup name	P 21 21 2
Unit cell lengths	132.436, 197.812, 51.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.500
R-factor	0.199
Rwork	0.199
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.009 *
RMSD bond angle	1.400 *
Data reduction software	HKL-2000
Data scaling software	d*TREK
Phasing software	SnB
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.086 *	0.242 *
Number of reflections	207448
<I/σ(I)>	23	4
Completeness [%]	95.2 *	81.4
Redundancy	4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4 *	21 *	PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
1	VAPOR DIFFUSION, HANGING DROP	4.4 *	21 *	PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	6 (%(w/v))
2	1	reservoir	sodium acetate	50 (mM)	pH4.4