5TRC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	56.433, 93.191, 110.944
Unit cell angles	90.00, 99.57, 90.00

Refinement procedure

Resolution	46.569 - 2.900
R-factor	0.2262
Rwork	0.223
R-free	0.28660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cs4
RMSD bond length	0.010
RMSD bond angle	1.313
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.051	0.029	0.504
Rmeas	0.063
Rpim	0.037
Total number of observations	68733
Number of reflections	25115
<I/σ(I)>	13.7
Completeness [%]	98.3	91.4	99.2
Redundancy	2.7	2.7	2.7
CC(1/2)		0.997	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM HEPES (pH 7.5), 3% (v/v) MPD, 2.5 mM sodium citrate, and 5% (v/v) glycerol