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5IA0

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyPIXEL
Collection date2015-07-18
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.918409
Spacegroup nameP 21 21 21
Unit cell lengths57.035, 90.149, 200.590
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.865 - 1.948
R-factor0.1942
Rwork0.194
R-free0.22490
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1mqb
RMSD bond length0.008
RMSD bond angle0.977
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX ((1.10.1_2155: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.2002.070
High resolution limit [Å]1.9481.948
Rpim0.1171.658
Number of reflections76440
<I/σ(I)>12.28
Completeness [%]99.8
Redundancy7.41
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29137.5 % MPD_P1k_P3350, 0.3 M Carboxylic Acids, 0.1 M BufferSystem3 pH 8.5

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