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8S04

A fragment-based inhibitor of SHP2

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2015-09-04
DetectorDECTRIS PILATUS 6M
Wavelength(s).97625
Spacegroup nameP 1 21 1
Unit cell lengths45.972, 212.336, 56.035
Unit cell angles90.00, 96.77, 90.00
Refinement procedure
Resolution49.280 - 1.890
R-factor0.1903
Rwork0.189
R-free0.22340
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.013
RMSD bond angle1.100
Data reduction softwareXDS
Data scaling softwareAimless
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.2901.930
High resolution limit [Å]1.8901.890
Rmeas0.0590.762
Number of reflections831743878
<I/σ(I)>10.72
Completeness [%]97.6
Redundancy3.4
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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