4EWG

Crystal structure of a Beta-ketoacyl synthase from Burkholderia phymatum STM815

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-30
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.410, 60.940, 99.680
Unit cell angles	90.00, 95.13, 90.00

Refinement procedure

Resolution	49.640 - 2.250
R-factor	0.192
Rwork	0.190
R-free	0.23700
Structure solution method	MR
Starting model (for MR)	3ho9
RMSD bond length	0.014
RMSD bond angle	1.354
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.640		2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.094	0.020	0.389
Number of reflections	36898	432	2479
<I/σ(I)>	14.29	56.3	3.7
Completeness [%]	97.2	93.5	88.5
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	Internal tracking number 230204c7. JCSG Core Suite IV well c7. 0.1M Imidazole Buffer pH 8.0, 10.0% w/v PEG8,000, 20% ethylene glycol. BuphA.00113.a.A1 ps01343 24.9mg/ml, vapor diffusion, sitting drop, temperature 290K, VAPOR DIFFUSION, SITTING DROP