5AAE

Aurora A kinase bound to an imidazopyridine inhibitor (14d)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Collection date	2014-04-27
Spacegroup name	P 61 2 2
Unit cell lengths	81.780, 81.780, 167.840
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.125 - 3.110
R-factor	0.2408
Rwork	0.238
R-free	0.29090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4byi
RMSD bond length	0.004
RMSD bond angle	0.807
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.120	3.190
High resolution limit [Å]	3.110	3.110
Rmerge	0.050	0.810
Number of reflections	6482
<I/σ(I)>	23.4	2.6
Completeness [%]	99.8	99.6
Redundancy	8.7	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.9		0.1 M TRIS PH 8.9 0.2 M LITHIUM SULFATE 30 % PEG 4000