3KG9

Dehydratase domain from CurK 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	2009-04-06
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	38.122, 94.301, 150.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.770 - 1.700
R-factor	0.184
Rwork	0.182
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kg7
RMSD bond length	0.008
RMSD bond angle	1.121
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	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.072	0.656
Number of reflections	59477
<I/σ(I)>	20.1	2.3
Completeness [%]	98.0	85.8
Redundancy	6.8	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	293	1.3 M tri-sodium citrate, 30 mM (D)+sucrose, 100 mM tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K