4R8E

Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Detector technology	CCD
Collection date	2014-08-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	74.670, 63.910, 89.290
Unit cell angles	90.00, 107.14, 90.00

Refinement procedure

Resolution	42.550 - 2.700
R-factor	0.1988
Rwork	0.196
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.903
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.550	42.500	2.830
High resolution limit [Å]	2.700	8.950	2.700
Number of reflections	20652
Completeness [%]	92.6	93.5	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296.2	0.2 M Lithium Chloride, 0.1 M HEPES pH 7, 20% PEG 6000., VAPOR DIFFUSION, HANGING DROP, temperature 296.2K