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9BI8

Crystal structure of inhibitor GNE-6893 bound to HPK1

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U1
Synchrotron siteSSRF
BeamlineBL17U1
Temperature [K]93
Detector technologyPIXEL
Collection date2018-10-26
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.97918
Spacegroup nameP 1 21 1
Unit cell lengths45.300, 75.860, 86.870
Unit cell angles90.00, 98.40, 90.00
Refinement procedure
Resolution34.700 - 2.250
R-factor0.2033
Rwork0.200
R-free0.27110
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.003
RMSD bond angle0.545
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.8142.035
High resolution limit [Å]2.0282.028
Rmerge0.0951.696
Rmeas0.1132.184
Rpim0.0611.347
Total number of observations531
Number of reflections65504214
<I/σ(I)>6.70.6
Completeness [%]89.9
Redundancy3.32.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2920.1 M Tris-HCl, pH 8.5, 0.25 M sodium tartrate and 12% PEG 8000

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