5AAD

Aurora A kinase bound to an imidazopyridine inhibitor (7a)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 61 2 2
Unit cell lengths	81.135, 81.135, 171.527
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.353 - 3.100
R-factor	0.2049
Rwork	0.201
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mq4
RMSD bond length	0.011
RMSD bond angle	1.264
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.760	3.270
High resolution limit [Å]	3.100	3.100
Rmerge	0.080	0.450
Number of reflections	6489
<I/σ(I)>	16.3	4.4
Completeness [%]	98.8	99.6
Redundancy	7.6	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1