2PH5

Crystal structure of the homospermidine synthase hss from Legionella pneumophila in complex with NAD, Northeast Structural Genomics Target LgR54

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-22
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97950
Spacegroup name	C 2 2 21
Unit cell lengths	95.848, 146.902, 85.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.610 - 2.500
R-factor	0.202
Rwork	0.202
R-free	0.26100
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.610	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.075	0.306
Number of reflections	40444
<I/σ(I)>	26.42	5.59
Completeness [%]	96.5	87.2
Redundancy	7.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Protein solution: 20 mM Tris-HCl pH 7.5, 100 mM NaCl, 5 mM DTT. Reservoir solution: 100 mM HEPES pH 7.5, 22% PEG MME 550, 50 mM Magnesium chloride, 5 mM NAD(+), VAPOR DIFFUSION, SITTING DROP, temperature 293K