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8S0K

A fragment-based inhibitor of SHP2

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2016-09-15
DetectorDECTRIS PILATUS3 6M
Wavelength(s).97625
Spacegroup nameP 1 21 1
Unit cell lengths46.068, 212.580, 55.926
Unit cell angles90.00, 97.12, 90.00
Refinement procedure
Resolution106.290 - 1.840
R-factor0.18368
Rwork0.181
R-free0.22788
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.009
RMSD bond angle1.323
Data reduction softwareXDS
Data scaling softwareAimless
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]106.2901.870
High resolution limit [Å]1.8401.840
Rmeas0.0480.347
Number of reflections906353288
<I/σ(I)>9.32.4
Completeness [%]98.287
Redundancy3.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82930.5M K formate 15% PEG 3350 0.1M pH=8 Bis-Tris propane/HCl

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