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5ORL

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

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2016-02-15
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.9282
Spacegroup nameP 61 2 2
Unit cell lengths81.620, 81.620, 175.210
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution65.552 - 1.690
R-factor0.2063
Rwork0.205
R-free0.23830
Data reduction softwarexia2
Data scaling softwareXSCALE
Phasing softwarePHENIX
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]65.55265.5521.730
High resolution limit [Å]1.6907.5601.690
Rmerge0.0820.0362.688
Rmeas0.0870.0372.860
Total number of observations747413
Number of reflections732288445429
<I/σ(I)>15.6752.110.86
Completeness [%]100.099.8100
Redundancy10.20710.2628.674
CC(1/2)0.9990.9990.340
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52980.1 M Tris, pH 8.5; 0.5 M NaCl; 0.2 M MgCl2; 32.5 % v/v PEG 3350

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