8OF5

Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97
Spacegroup name	P 41 21 2
Unit cell lengths	83.490, 83.490, 116.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.791 - 1.970
Rwork	0.184
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.451
Data reduction software	xia2
Data scaling software	xia2
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.791	2.021
High resolution limit [Å]	1.970	1.970
Number of reflections	29889	2058
<I/σ(I)>	20.3
Completeness [%]	100.0	100
Redundancy	14.1
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 1000, PEG 3350, MPD, MOPS, Hepes, Magnesium chloride, Calcium chloride