4EFI

Crystal Structure of 3-oxoacyl-(Acyl-carrier protein) Synthase from Burkholderia Xenovorans LB400

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97740
Spacegroup name	C 1 2 1
Unit cell lengths	101.377, 54.408, 60.836
Unit cell angles	90.00, 103.77, 90.00

Refinement procedure

Resolution	35.154 - 1.350
R-factor	0.1598
Rwork	0.159
R-free	0.17360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dfe
RMSD bond length	0.009
RMSD bond angle	1.311
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.4.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.330
High resolution limit [Å]	1.300	3.210	1.300
Rmerge		0.035	0.610
Number of reflections	78305
<I/σ(I)>	9.8
Completeness [%]	99.1	89.7	99.4
Redundancy	7.2	6.6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	Protein was from BuxeA.00171.a.A1.PW33644 set up at 26.35mg/ml, .4/.4 uL drops at 16c. Crystals were found in condition: 20% PEG 2000MME, 100mM Tris pH 8.5, 200mM Trimethylamine n-oxide cryoprotected with well solution +20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 289K