6VPL

TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 7-80, and in complex with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.637, 85.562, 152.934
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.070 - 1.860
R-factor	0.169
Rwork	0.167
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000246794
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	1.930
High resolution limit [Å]	1.860	4.010	1.860
Rmerge	0.062	0.044	0.271
Rmeas		0.046	0.289
Rpim		0.012	0.097
Number of reflections	56774	6022	5540
<I/σ(I)>	27.8
Completeness [%]	99.9	99.9	99.3
Redundancy	10.9	13	8.4
CC(1/2)		0.999	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	298	0.1 M sodium malonate pH 5.5, 12% PEG 3350, 17% glycerol