4LS8

Crystal structure of Bacillus subtilis beta-ketoacyl-ACP synthase II (FabF) in a 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	2009-07-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	86.440, 87.560, 116.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.110 - 2.100
R-factor	0.162
Rwork	0.162
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.187	29.737	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge	0.065	0.026	0.490
Total number of observations		6768	29358
Number of reflections	50824
<I/σ(I)>	14.1	19.8	1.6
Completeness [%]	97.4	98.3	95.5
Redundancy	4.1	3.8	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	FabF:cerulenin complex: 15% PEG3000 , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 291K