2XNE

Structure of Aurora-A bound to an 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
Detector	ADSC CCD
Spacegroup name	P 61 2 2
Unit cell lengths	82.923, 82.923, 167.092
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.989 - 2.800
R-factor	0.2401
Rwork	0.238
R-free	0.28130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ol7
RMSD bond length	0.003
RMSD bond angle	0.701
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.900	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.060	0.450
Number of reflections	8931
<I/σ(I)>	30.1	6.2
Completeness [%]	99.5	100
Redundancy	13.4	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.2M SODIUM CITRATE, 20% PEG 3350