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6Q7G

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron sitePETRA III, EMBL c/o DESY
BeamlineP13 (MX1)
Temperature [K]100
Detector technologyPIXEL
Collection date2018-10-04
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.97625
Spacegroup nameP 1 21 1
Unit cell lengths32.781, 107.384, 40.552
Unit cell angles90.00, 108.66, 90.00
Refinement procedure
Resolution36.175 - 1.047
R-factor0.1872
Rwork0.187
R-free0.20090
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6fnf
RMSD bond length0.006
RMSD bond angle0.967
Data reduction softwareXDS (XDSapp 2.0)
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX ((dev_3318: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]36.1751.110
High resolution limit [Å]1.0471.047
Rmeas0.127
Number of reflections11594217627
<I/σ(I)>7.060.29
Completeness [%]93.287.8
Redundancy6.936.59
CC(1/2)0.9990.102
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.529130 % PEG3350, 100 mM Morpheus Amino Acids Mix, 100 mM Morpheus Buffer System 3 (Tris/Bicine)

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