4C3P

Structure of dephosphorylated Aurora A (122-403) bound to TPX2 and 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	2012-12-17
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	49.927, 86.717, 153.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.480 - 2.690
R-factor	0.20526
Rwork	0.201
R-free	0.28857
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ol7
RMSD bond length	0.011
RMSD bond angle	1.511
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]	47.500	2.760
High resolution limit [Å]	2.690	2.690
Rmerge	0.260
Number of reflections	19139
<I/σ(I)>	8	2.3
Completeness [%]	100.0	100
Redundancy	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	CRYSTALS OF DEPHOSPHORYLATED A(122-403) IN COMPLEX WITH AMPPCP AND TPX2(1-43) WERE GROWN AT 18C BY VAPOR DIFFUSION AND THE HANGING DROP OBTAINED BY COMBINING 300UM DEP A(122-403) WITH 1.5MM AMPPCP AND 300UM TPX2(1-43) WITH 0.2M LITHIUM SULFATE MONOHYDRATE, 0.1M BISTRIS PH5.5, 25% PEG3350.