4I08

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

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	2011-03-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 62
Unit cell lengths	63.941, 63.941, 190.374
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.860 - 2.063
R-factor	0.1535
Rwork	0.153
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rro
RMSD bond length	0.009
RMSD bond angle	1.343
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.100
High resolution limit [Å]	2.060	5.590	2.060
Rmerge	0.102	0.049	0.811
Number of reflections	27006
<I/σ(I)>	9.5
Completeness [%]	99.9	99.9	100
Redundancy	5.6	6.1	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	289	2.7M Ammonium Sulfate, 0.1M Tris-HCl, 2% PEG400, pH 9, VAPOR DIFFUSION, temperature 289K