3TTH

Structure of the spermidine N1-acetyltransferase (speG) from Coxiella burnetii

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	2011-08-25
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	177.887, 106.842, 143.851
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.747 - 3.298
R-factor	0.2409
Rwork	0.238
R-free	0.28860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.840
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	3.360
High resolution limit [Å]	3.300	8.960	3.300
Rmerge	0.080	0.041	0.422
Number of reflections	41951
<I/σ(I)>	10.2
Completeness [%]	99.8	97.1	100
Redundancy	8.2	7.3	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	200 mM LiSO4, 100 mM Imid ph 8.0, 10% PEG 3000, temperature 293K, VAPOR DIFFUSION, SITTING DROP