5CEJ

The crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Yersinia pestis at 2.50A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-01
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.7108
Spacegroup name	P 42 21 2
Unit cell lengths	88.160, 88.160, 54.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.169 - 2.500
R-factor	0.2215
Rwork	0.220
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.849
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_1834)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.170	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	7814
<I/σ(I)>	9.7	3
Completeness [%]	99.9	100
Redundancy	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	300 mM ammonium phosphate monobasic, trimethylamine N-oxide dihydrate