3KG6

Dehydratase domain from CurF 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	2007-06-05
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	87.379, 198.385, 146.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.890 - 2.700
R-factor	0.21549
Rwork	0.213
R-free	0.26510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kg7
RMSD bond length	0.006
RMSD bond angle	0.918
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	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.109	0.792
Number of reflections	35542
<I/σ(I)>	18.1
Completeness [%]	100.0	100
Redundancy	7.4	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	293	14% (w/v) PEG 4000, 200 mM CaCl2, 10% (v/v) glycerol, 2 mM DTT, 100 mM Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K