3OSU

Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, FabG, from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	110
Detector technology	CCD
Collection date	2009-07-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	64.060, 64.060, 183.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.030 - 1.900
R-factor	0.159
Rwork	0.157
R-free	0.19310
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.978
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	PHENIX (dev_501)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.088	0.045	0.663
Number of reflections	66682
<I/σ(I)>	19.1	28.7	2.6
Completeness [%]	99.9	99.2	100
Redundancy	6.5	6.6	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	30% PEG 400,100mM Potassium Chloride, 10mM Magnesium Chloride, 50mM Tris, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 295K