5ONE

Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97779
Spacegroup name	P 32 2 1
Unit cell lengths	86.765, 86.765, 77.103
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.380 - 2.600
R-factor	0.21086
Rwork	0.208
R-free	0.25962
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ol7
RMSD bond length	0.011
RMSD bond angle	1.162
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.380	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.073	0.989
Rpim	0.030	0.395
Number of reflections	10651	1518
<I/σ(I)>	14.7	2
Completeness [%]	99.9	100
Redundancy	7.6	8
CC(1/2)	0.996	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277.15	18% PEG 3350, 0.2 M Ammonium citrate, 0.1 M bis-tris, pH 7.5