4BYI

Aurora A kinase bound to a highly selective imidazopyridine 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 61 2 2
Unit cell lengths	82.456, 82.456, 170.664
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.495 - 2.600
R-factor	0.2284
Rwork	0.227
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mq4
RMSD bond length	0.003
RMSD bond angle	0.721
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.490	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.060	1.110
Number of reflections	11213
<I/σ(I)>	19.7	2.1
Completeness [%]	99.8	99.8
Redundancy	11.2	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1