4WJZ

Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG)(G141A) from Vibrio cholerae

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	2014-08-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 61
Unit cell lengths	61.825, 61.825, 384.704
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.940 - 2.400
R-factor	0.2004
Rwork	0.199
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.404
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	2.440
High resolution limit [Å]	2.400	6.490	2.400
Rmerge	0.091	0.034	0.565
Rmeas	0.100	0.038	0.647
Rpim	0.041	0.018	0.307
Total number of observations	185974
Number of reflections	32068
<I/σ(I)>	8.1
Completeness [%]	98.6	87.5	97.2
Redundancy	5.8	4.3	4.1
CC(1/2)		0.993	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	2.4M Ammonium phosphate, 0.1M Tris-HCl