4C3R

Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP

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	2012-07-01
Detector	ADSC QUANTUM 315
Spacegroup name	P 61 2 2
Unit cell lengths	83.468, 83.468, 172.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.420 - 2.790
R-factor	0.22939
Rwork	0.221
R-free	0.30601
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ol7
RMSD bond length	0.010
RMSD bond angle	1.542
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.400	2.870
High resolution limit [Å]	2.790	2.790
Rmerge	0.080
Number of reflections	9400
<I/σ(I)>	19.8	1.8
Completeness [%]	100.0	100
Redundancy	15.7	16.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	CRYSTALS OF DEPHOSPHORYLATED A(122-403) IN COMPLEX WITH AMPPCP WERE OBTAINED BY MIXING A 2:1 RATIO OF 570UM (18MG/ML) DEP A(122-403) AND 1MM AMPPCP WITH MOTHER LIQUOR (0.2M AMMONIUM SULFATE, 0.2M TRISHCL PH 7.50, 30% (W/V) PEG3350). THE CRYSTALS WERE GROWN AT 18C BY VAPOR DIFFUSION AND THE HANGING DROP METHOD.