6VPI

TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + D256N + C319V triple mutant disulfide homodimer 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	2015-04-16
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	85.292, 85.292, 128.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.260 - 2.000
R-factor	0.1878
Rwork	0.186
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ol5
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]	23.330	23.330	2.030
High resolution limit [Å]	2.000	5.410	2.000
Rmerge	0.047	0.018	0.617
Rmeas	0.054	0.021	0.714
Rpim	0.026	0.009	0.355
Total number of observations	126757
Number of reflections	32094	1668	1562
<I/σ(I)>	13.9
Completeness [%]	98.1	91.6	97.5
Redundancy	3.9	3.9	3.7
CC(1/2)		0.999	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	298	0.336 M sodium malonate pH 7.5, 0.348 M sodium malonate pH 6.5