6HJJ

Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 61 2 2
Unit cell lengths	82.027, 82.027, 172.609
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.037 - 2.130
R-factor	0.2117
Rwork	0.209
R-free	0.26920
RMSD bond length	0.007
RMSD bond angle	1.003
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.040	2.206
High resolution limit [Å]	2.130	2.130
Number of reflections	19990	3856
<I/σ(I)>	17.84	1.51
Completeness [%]	99.9	99.33
Redundancy	2	2
CC(1/2)	0.999	0.427

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M lithium sulfate, 0.1 M sodium acetate pH 4.5, 50 % w/v polyethylene glycol 400;