5CS4

Crystal structure of domains AC3-AC5 of yeast acetyl-CoA carboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	56.849, 93.285, 111.144
Unit cell angles	90.00, 100.62, 90.00

Refinement procedure

Resolution	42.900 - 3.190
R-factor	0.2362
Rwork	0.234
R-free	0.28730
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.439
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.200	6.890	3.200
Rmerge	0.075	0.051	0.405
Rmeas	0.080	0.055	0.434
Rpim	0.029	0.020	0.156
Total number of observations	144655
Number of reflections	19141
<I/σ(I)>	11.1
Completeness [%]	99.9	99.4	100
Redundancy	7.6	7.5	7.6
CC(1/2)		0.999	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	80 mM HEPES (pH 7.5), 4 % (v/v) MPD, 8 mM sodium citrate, 4% (v/v) glycerol, and 40mM NDSB-201