4WZU

Crystal structure of beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	78.858, 60.212, 68.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.000 - 1.880
R-factor	0.17
Rwork	0.168
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ebd
RMSD bond length	0.010
RMSD bond angle	1.336
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.910
High resolution limit [Å]	1.880	5.100	1.880
Rmerge	0.081	0.047	0.632
Rmeas	0.088	0.052	0.696
Rpim	0.035	0.022	0.287
Total number of observations	173246
Number of reflections	27226
<I/σ(I)>	8.7
Completeness [%]	99.9	99.3	99.5
Redundancy	6.4	5.7	5.8
CC(1/2)		0.997	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M Succinic acid,20% (w/v) PEG 3350