5I87

Crystal structure of BT-CD domains of human acetyl-CoA carboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0000
Spacegroup name	I 41 2 2
Unit cell lengths	267.270, 267.270, 210.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.518 - 3.700
R-factor	0.3485
Rwork	0.347
R-free	0.38070
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.832
Data reduction software	XDS (VERSION March 1, 2015)
Data scaling software	XSCALE (VERSION March 1, 2015)
Phasing software	SHELXCD (2014/2)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.518	3.800
High resolution limit [Å]	3.700	3.700
Rmerge	0.075	4.010
Number of reflections	77629
<I/σ(I)>	21.24	1.07
Completeness [%]	99.8	99.1
Redundancy	13.7	13.7
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292.15	MES, tri-potassium citrate, PEG10000