5ORZ

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	81.970, 81.970, 175.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.985 - 1.920
R-factor	0.1994
Rwork	0.197
R-free	0.24430
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]	40.985	40.985	1.970
High resolution limit [Å]	1.920	8.590	1.920
Rmerge	0.038	0.020	1.920
Rmeas	0.040	0.021	2.018
Number of reflections	50418	582	3718
<I/σ(I)>	26.83	93.96	1.3
Completeness [%]	100.0	99	100
Redundancy	10.402	10.808	10.609
CC(1/2)	1.000	1.000	0.547

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