3UOK

Aurora A in complex with YL5-81-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2010-12-20
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 32
Unit cell lengths	85.750, 85.750, 76.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.892 - 2.951
Rwork	0.223
R-free	0.27610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fdn
RMSD bond length	0.010
RMSD bond angle	1.494
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	3.000
High resolution limit [Å]	2.950	2.950
Rmerge	0.077	0.474
Number of reflections	13174
<I/σ(I)>	22.4	7.5
Completeness [%]	99.4	99.8
Redundancy	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	10 mg/mL AURORA A protein, 1 mM YL5-81-1, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K