4WZ8

Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	94.520, 138.030, 184.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	110.590 - 2.230
R-factor	0.1789
Rwork	0.177
R-free	0.20940
RMSD bond length	0.010
RMSD bond angle	1.110
Data scaling software	SCALA (3.3.9)
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	184.830	184.830	2.350
High resolution limit [Å]	2.226	7.040	2.230
Rmerge		0.021	0.497
Rmeas	0.095
Rpim	0.040	0.011	0.274
Total number of observations	582564	18026	83581
Number of reflections	116347
<I/σ(I)>	14.4	44.5	2.9
Completeness [%]	98.1	94.3	99.1
Redundancy	5	4.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	100 mM NaCitrate, 12%(w/v) PEG8000, 150 mM LiSO4, 7.5% (v/v) glycerol, pH 5.5