3UOL

Aurora A in complex with SO2-162

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2011-09-19
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 32
Unit cell lengths	85.750, 85.750, 76.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.714 - 2.400
Rwork	0.237
R-free	0.28280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fdn
RMSD bond length	0.012
RMSD bond angle	1.536
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	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.044	0.239
Number of reflections	24248
<I/σ(I)>	30.2	7.5
Completeness [%]	98.4	98
Redundancy	5.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	10 mg/mL AURORA A protein, 1 mM SO2-162, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K