5EW9

Crystal Structure of Aurora A Kinase Domain Bound to MK-5108

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127085
Spacegroup name	P 21 21 21
Unit cell lengths	51.851, 65.327, 77.267
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.254 - 2.181
R-factor	0.1907
Rwork	0.185
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1MQ4 2j4z 3fdn 3lau & 4UYN
RMSD bond length	0.006
RMSD bond angle	1.108
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.950	2.220
High resolution limit [Å]	2.180	2.180
Rmerge		0.659
Number of reflections	14158
<I/σ(I)>	19.5	1.9
Completeness [%]	99.7	97.1
Redundancy	6.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	30% PEG3350, 100 mM Bis-Tris