5CSK

Crystal structure of yeast acetyl-CoA carboxylase, unbiotinylated

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	2014-07-29
Detector	PSI PILATUS 6M
Wavelength(s)	1.100
Spacegroup name	P 43 21 2
Unit cell lengths	159.879, 159.879, 615.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.470 - 3.100
R-factor	0.2199
Rwork	0.217
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AC1-2 AC3-5 BT-BCCP-AC1-5
RMSD bond length	0.011
RMSD bond angle	1.494
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	3.210
High resolution limit [Å]	3.100	6.670	3.100
Rmerge	0.109	0.036	0.881
Rmeas	0.127	0.046
Rpim	0.085	0.029	0.680
Total number of observations	307202
Number of reflections	136014
<I/σ(I)>	6.4
Completeness [%]	93.1	92.2	90.5
Redundancy	2.3	2.2	2.3
CC(1/2)		0.996	0.452

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