5END

Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG)(Q152A) from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.979
Spacegroup name	P 62
Unit cell lengths	63.995, 63.995, 190.474
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.900 - 2.550
R-factor	0.2084
Rwork	0.206
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.515
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.097	0.035	0.755
Rmeas	0.108	0.039	0.844
Rpim	0.047	0.017	0.374
Total number of observations	72363
Number of reflections	14503
<I/σ(I)>	6.4
Completeness [%]	99.9	99.1	100
Redundancy	5	4.6	5
CC(1/2)		0.993	0.659

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.1M Tris, 20% PEG1000