2XNG

Structure of Aurora-A bound to a selective imidazopyrazine inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-06
Detector	ADSC CCD
Spacegroup name	P 61 2 2
Unit cell lengths	82.096, 82.096, 171.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.097 - 2.605
R-factor	0.2238
Rwork	0.221
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ol7
RMSD bond length	0.008
RMSD bond angle	1.281
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.070	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.070	0.340
Number of reflections	11148
<I/σ(I)>	25.9	5.2
Completeness [%]	100.0	99.9
Redundancy	11	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1