9S0W

Crystal structure of Aurora-A bound to DBL3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	40.270, 91.320, 111.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.490 - 2.070
Rwork	0.227
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.888
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.490	2.110
High resolution limit [Å]	2.070	2.070
Number of reflections	25854	1290
<I/σ(I)>	14.5
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.09M Halides, 0.12M Ethyleneglycol, 0.1M Buffer system 1, 37.5% Precipitant mix 4