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8S06

A fragment-based inhibitor of SHP2

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyPIXEL
Collection date2016-02-18
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97625
Spacegroup nameP 1 21 1
Unit cell lengths45.504, 213.257, 55.487
Unit cell angles90.00, 95.99, 90.00
Refinement procedure
Resolution45.300 - 2.190
R-factor0.18042
Rwork0.177
R-free0.23838
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.011
RMSD bond angle1.495
Data reduction softwareXDS
Data scaling softwareAimless
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.3002.260
High resolution limit [Å]2.1902.190
Rmeas0.0500.778
Number of reflections526454168
<I/σ(I)>13.11.6
Completeness [%]98.0
Redundancy3.2
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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