3UO6

Aurora A in complex with YL5-083

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2011-05-04
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 32
Unit cell lengths	85.700, 85.700, 76.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.889 - 2.800
Rwork	0.229
R-free	0.27640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3unz
RMSD bond length	0.013
RMSD bond angle	1.462
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.068	0.374
Number of reflections	15369
<I/σ(I)>	31.79	4.7
Completeness [%]	99.0	99.7
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	10 mg/mL AURORA A protein, 1 mM YL5-083, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K