4U3V

Crystal structure of the trans-acyltransferase polyketide synthase enoyl-isomerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	48.821, 68.267, 77.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.370 - 1.730
R-factor	0.21478
Rwork	0.214
R-free	0.23855
RMSD bond length	0.010
RMSD bond angle	1.424
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.370
High resolution limit [Å]	1.730
Number of reflections	25889
<I/σ(I)>	48.3	2.5
Completeness [%]	97.6	74.4
Redundancy	3.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	300	1.9 M ammonium sulfate, 0.1 M Tris-HCl, pH 8.3