2X24

bovine ACC2 CT domain in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	225.193, 104.867, 85.078
Unit cell angles	90.00, 95.67, 90.00

Refinement procedure

Resolution	29.700 - 2.400
R-factor	0.234
Rwork	0.232
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.210
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	BUSTER (2.9.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.140	0.630
Number of reflections	76174
<I/σ(I)>	5.7
Completeness [%]	97.7	98
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1