4LS7

Crystal structure of Bacillus subtilis beta-ketoacyl-ACP synthase II (FabF) in a non-covalent complex with cerulenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-03-04
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	72.266, 87.721, 144.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.921 - 1.674
R-factor	0.151
Rwork	0.151
R-free	0.18010
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ls5
RMSD bond length	0.007
RMSD bond angle	1.117
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	144.730	28.946	1.760
High resolution limit [Å]	1.674	5.290	1.670
Rmerge	0.046	0.018	0.441
Number of reflections	105207
<I/σ(I)>	16.8	29.4	1.7
Completeness [%]	98.9	98.3	95.4
Redundancy	3.5	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	10% PEG3350, 0.25 M KCl, vapor diffusion, hanging drop, soaking with cerulenin (10 mg/mL) for 30 min , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 291K