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8S0O

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 date2017-03-05
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97625
Spacegroup nameP 1 21 1
Unit cell lengths45.448, 213.116, 55.666
Unit cell angles90.00, 96.56, 90.00
Refinement procedure
Resolution106.560 - 1.834
R-factor0.1958
Rwork0.194
R-free0.23610
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.013
RMSD bond angle1.110
Data reduction softwareXDS
Data scaling softwareAimless
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]106.5601.890
High resolution limit [Å]1.8301.830
Rmeas0.0530.422
Number of reflections914856714
<I/σ(I)>8.52.4
Completeness [%]99.797.7
Redundancy32.47
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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