5CSA

Crystal structure of domains BT-BCCP-AC1-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	2014-02-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	93.329, 149.667, 95.437
Unit cell angles	90.00, 118.39, 90.00

Refinement procedure

Resolution	42.630 - 3.000
R-factor	0.23262
Rwork	0.230
R-free	0.28867
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AC1-2 AC3-5
RMSD bond length	0.010
RMSD bond angle	1.315
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	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.088	0.039	0.449
Rmeas	0.104	0.046	0.534
Rpim	0.055	0.024	0.286
Total number of observations	155441
Number of reflections	45742
<I/σ(I)>	9.1
Completeness [%]	99.2	96.3	100
Redundancy	3.4	3.4	3.4
CC(1/2)		0.998	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	80 mM HEPES (pH 7.5), 9.6% (w/v) PEG6000, 1.6% (v/v) MPD, 60 mM sodium citrate, and 80 mM NaI