8JMX

The crystal structure of human aurka kinase domain in complex with AURKA-A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	CCD
Collection date	2023-05-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 61 2 2
Unit cell lengths	83.133, 83.133, 171.452
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.762 - 2.950
R-factor	0.23073303539
Rwork	0.222
R-free	0.30625
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.566
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.770	3.050
High resolution limit [Å]	2.950	2.950
Rmerge	0.180
Number of reflections	7925	7925
<I/σ(I)>	24
Completeness [%]	100.0
Redundancy	24
CC(1/2)		0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl (pH 8.5), 0.2 M lithium sulfate and 25% w/v PEG 3350