4LS5

Crystal structure of beta-ketoacyl-ACP synthase II (FabF) 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	2008-12-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	72.513, 87.522, 144.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.977 - 1.803
R-factor	0.162
Rwork	0.162
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gqd
RMSD bond length	0.007
RMSD bond angle	1.076
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	AMoRE
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.879	28.977	1.900
High resolution limit [Å]	1.803	5.700	1.800
Rmerge	0.053	0.024	0.551
Total number of observations		9695	40924
Number of reflections	85353
<I/σ(I)>	13.4	23.8	1.4
Completeness [%]	99.8	98.3	99.1
Redundancy	3.5	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	10% PEG3350, 0.25 M KCl , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 291K