2QX1

Crystal structure of the complex between mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FABH) and decyl-COA disulfide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-03-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	67.649, 89.365, 232.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.880 - 2.600
R-factor	0.24951
Rwork	0.242
R-free	0.31620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzp
RMSD bond length	0.009
RMSD bond angle	1.229
Data reduction software	CrystalClear
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.500	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.122	0.277
Number of reflections	21693
<I/σ(I)>	6.6	3.5
Completeness [%]	98.0	99.9
Redundancy	2.76	2.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100MM NA HEPES, 18% PEG-10K(W.V), pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K