6VPM

TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 8-34, and in complex with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-27
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.730, 85.769, 152.492
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.870 - 1.580
R-factor	0.17
Rwork	0.170
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000246826
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.640
High resolution limit [Å]	1.580	3.403	1.580
Rmerge	0.059	0.045	0.612
Rmeas		0.046	0.715
Rpim		0.010	0.350
Number of reflections	81955	8982	7243
<I/σ(I)>	21.9
Completeness [%]	89.2	93.1	80
Redundancy	11.3	18.8	3.8
CC(1/2)		0.999	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	298	0.1 M sodium malonate pH 5.5, 7.5% PEG 3350, 11% glycerol