3UP2

Aurora A in complex with RPM1686

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2011-05-01
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 61 2 2
Unit cell lengths	82.440, 82.440, 173.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.710 - 2.300
R-factor	0.2079
Rwork	0.206
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fdn
RMSD bond length	0.010
RMSD bond angle	1.203
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	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.031	0.158
Number of reflections	16126
<I/σ(I)>	54	10.7
Completeness [%]	99.7	99.9
Redundancy	20	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	10 mg/mL AURORA A protein, 1 mM RPM1686, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K