5CSL

Crystal structure of the 500 kD yeast acetyl-CoA carboxylase holoenzyme dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-28
Detector	PSI PILATUS 6M
Wavelength(s)	1.100
Spacegroup name	P 43 21 2
Unit cell lengths	159.866, 159.866, 614.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.930 - 3.200
R-factor	0.22137
Rwork	0.219
R-free	0.26579
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	acetyl-CoA carboxylase unbiotinylated
RMSD bond length	0.011
RMSD bond angle	1.532
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

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	0.148	0.036	0.901
Rmeas	0.168	0.043
Rpim	0.099	0.024	0.633
Total number of observations	389181
Number of reflections	129365
<I/σ(I)>	5.1
Completeness [%]	97.5	98.9	87.4
Redundancy	3	2.9	2.7
CC(1/2)		0.998	0.448

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	14% (w/v) PEG3350, 4% (v/v) tert-butanol, and 0.2 M sodium citrate