4JGA

X-ray crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase 2 from Rickettsia rickettsii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-23
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	73.170, 62.740, 95.430
Unit cell angles	90.00, 112.08, 90.00

Refinement procedure

Resolution	19.190 - 2.100
R-factor	0.1494
Rwork	0.148
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kzu
RMSD bond length	0.012
RMSD bond angle	1.421
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	9.390	2.150
High resolution limit [Å]	2.100	6.640	2.100
Rmerge	0.104	0.034	0.298
Number of reflections	46577	1002	3194
<I/σ(I)>	19.6	53.26	5.86
Completeness [%]	98.9	99.7	92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	JCSG+ A10: 200 mM potassium formate, 20% PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K