4Z19

Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Yersinia pestis with acetylated active site cysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	91.460, 119.880, 49.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.057 - 1.800
R-factor	0.1492
Rwork	0.148
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.994
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1834))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.260	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	25320
<I/σ(I)>	12.2	4.9
Completeness [%]	99.3	96.7
Redundancy	7.2	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296.15	Propan-2-ol, 0.1 M HEPES sodium salt, 15% Glycerol, 24% PEG4000, 2.25mM Acetyl-CoA, 2.25mM Malonyl-CoA