4XOX

Structure of beta-ketoacyl-ACP synthase I (FabB) 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	2013-03-06
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97927
Spacegroup name	P 21 21 21
Unit cell lengths	54.756, 88.654, 167.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.000 - 2.010
R-factor	0.1503
Rwork	0.149
R-free	0.17670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oyt
RMSD bond length	0.014
RMSD bond angle	1.591
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.000	27.000	2.030
High resolution limit [Å]	2.000	5.410	2.000
Rmerge	0.050	0.034	0.134
Rmeas	0.055	0.039	0.155
Rpim	0.024	0.017	0.077
Total number of observations	254989
Number of reflections	51875
<I/σ(I)>	16.3
Completeness [%]	94.3	97.5	79
Redundancy	4.9	5.2	3.1
CC(1/2)		0.993	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	1.6 M Ammonium citrate