6VPJ

TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + C319V double mutant dephosphorylated, and in complex with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	90.941, 90.941, 118.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.470 - 2.100
R-factor	0.1915
Rwork	0.190
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000246823
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	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.052	0.030	1.840
Rmeas	0.054	0.031	1.921
Rpim	0.015	0.009	0.545
Total number of observations	363214
Number of reflections	29631	3189	2901
<I/σ(I)>	8.2
Completeness [%]	100.0	99.7	100
Redundancy	12.3	11.7	12.2
CC(1/2)		0.999	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	0.2 M sodium citrate pH 4, 0.8 M sodium citrate pH 5.5, 6% PEG 3350, 8% trehalose