3KG8

Dehydratase domain from CurJ module of Curacin polyketide synthase

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	2008-08-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 21 21 21
Unit cell lengths	47.416, 70.345, 174.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.690 - 2.450
R-factor	0.19865
Rwork	0.195
R-free	0.25849
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kg8
RMSD bond length	0.010
RMSD bond angle	1.171
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.092	0.799
Number of reflections	21789
<I/σ(I)>	15.6	2
Completeness [%]	98.7	95
Redundancy	6.6	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18% PEG 3350, 2-10% 1,4 butanediol, 250 mM NaCl, 100 mM bis-Tris propane pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K