4J8M

Aurora A in complex with CD532

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0088
Spacegroup name	C 2 2 21
Unit cell lengths	83.175, 92.943, 74.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.075 - 1.853
R-factor	0.1782
Rwork	0.175
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.132
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.4.0)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.880
High resolution limit [Å]	1.850	5.010	1.850
Rmerge	0.106	0.069	0.791
Number of reflections	24605
<I/σ(I)>	11.6
Completeness [%]	99.0	99.6	98.3
Redundancy	6.5	6.1	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	20 mg/ml Aurora A protein, 1 mM CD532, 20% (w/v) PEG8000, 0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K