5ORW

Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 61 2 2
Unit cell lengths	82.510, 82.510, 175.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.395 - 2.000
R-factor	0.2173
Rwork	0.215
R-free	0.26960
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.395	55.395	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.070	0.046	1.826
Rmeas	0.074	0.049	1.922
Number of reflections	45166	523	3322
<I/σ(I)>	16.08	44.33	1.41
Completeness [%]	99.9	99.1	100
Redundancy	10.4	11.122	10.327
CC(1/2)	0.999	0.999	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350