4B0G

Complex of Aurora-A bound to an Imidazopyridine-based inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	83.562, 83.562, 76.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.797 - 2.500
R-factor	0.205
Rwork	0.202
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mq4
RMSD bond length	0.008
RMSD bond angle	1.156
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.250	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.080	0.330
Number of reflections	9791
<I/σ(I)>	14.4	3.5
Completeness [%]	99.7	100
Redundancy	4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1