4LS6

Crystal structure of beta-ketoacyl-ACP synthase II (FabF) I108F mutant from Bacillus subtilis

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	2008-11-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	72.069, 87.974, 145.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.840 - 1.560
R-factor	0.1491
Rwork	0.149
R-free	0.17180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	AMoRE
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.221	29.011	1.640
High resolution limit [Å]	1.560	4.930	1.560
Rmerge	0.042	0.028	0.308
Total number of observations		32300	63989
Number of reflections	131441
<I/σ(I)>	19.1	21	2.4
Completeness [%]	100.0	99.3	99.9
Redundancy	4.5	7.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	12% PEG3350, 0.2 M KCl, vapor diffusion, hanging drop, temperature 291K, pH 8, VAPOR DIFFUSION, HANGING DROP