4WK6

Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) (G141A) from Vibrio cholerae in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	79.904, 110.337, 117.482
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.000 - 2.210
R-factor	0.2107
Rwork	0.209
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.601
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]	27.000	27.000	2.240
High resolution limit [Å]	2.200	5.950	2.200
Rmerge	0.077	0.047	0.606
Rmeas	0.084	0.052	0.664
Rpim	0.034	0.022	0.268
Total number of observations	312294
Number of reflections	52121
<I/σ(I)>	7.4
Completeness [%]	98.8	99.8	93.9
Redundancy	6	5.5	5.4
CC(1/2)		0.998	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	0.17 M Ammonium Acetate,0.085 M Sodium Citrate:HCl,25.5% (w/v) PEG 4000,15% (v/v) Glycerol