6CPF

Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation

Replaces:  4UTD

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	2012-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999941
Spacegroup name	P 61 2 2
Unit cell lengths	81.750, 81.750, 172.871
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.790 - 2.300
R-factor	0.2221
Rwork	0.218
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mq4
RMSD bond length	0.003
RMSD bond angle	0.541
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.440	2.390
High resolution limit [Å]	2.300	2.300
Number of reflections	15873
<I/σ(I)>	10.3
Completeness [%]	100.0
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	Crystals were obtained by mixing 570 uM Aurora A (18 mg/mL) in buffer (20 mM Tris-HCl, pH 7.5, 200 mM NaCl, 20 mM MgCl2, 1 mM TCEP) in a 2:1 ratio with mother liquor (0.2 M Tris-HCl, pH 7.5, 0.2 M ammonium sulfate, 30% (w/v) PEG-3350).