3FF6

Human ACC2 CT domain with CP-640186

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	81.545, 168.836, 293.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.190
R-factor	0.201
Rwork	0.197
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	human ACC2(1695-2449) from a complex with CP-640188
RMSD bond length	0.008
RMSD bond angle	1.051
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.270
High resolution limit [Å]	3.190	3.190
Rmerge	0.110	0.440
Number of reflections	59688
<I/σ(I)>	13.1	4.8
Completeness [%]	96.9	99.9
Redundancy	7.5	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7	298	25% Peg 3350, 5% glycerol, and 0.2M Tri-Ammonium Citrate pH 7.0, hanging drop, temperature 298K
1	hanging drop	7	298	25% Peg 3350, 5% glycerol, and 0.2M Tri-Ammonium Citrate pH 7.0, hanging drop, temperature 298K
1	hanging drop	7	298	25% Peg 3350, 5% glycerol, and 0.2M Tri-Ammonium Citrate pH 7.0, hanging drop, temperature 298K