6C2T

Aurora A ligand complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-20
Detector	MAR CCD 165 mm
Wavelength(s)	0.97931
Spacegroup name	P 41 21 2
Unit cell lengths	83.487, 83.487, 74.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.680 - 1.730
R-factor	0.185
Rwork	0.183
R-free	0.22000
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.685	19.685	1.820
High resolution limit [Å]	1.730	5.470	1.730
Rmerge	0.100	0.043	1.075
Rmeas	0.107	0.046	1.152
Total number of observations	371602
Number of reflections	27950	954	3942
<I/σ(I)>	11.3	14.6	0.7
Completeness [%]	99.2	94.1	98.1
Redundancy	13.3	11.8	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	294	100mM MES pH 4.8, 25% PEG 3350, 150mM Ammonium Sulfate