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8RZW

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 date2015-09-10
DetectorDECTRIS PILATUS 6M
Wavelength(s).97623
Spacegroup nameP 1 21 1
Unit cell lengths46.063, 212.634, 55.987
Unit cell angles90.00, 97.16, 90.00
Refinement procedure
Resolution49.280 - 2.020
R-factor0.21842
Rwork0.216
R-free0.27183
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.009
RMSD bond angle1.265
Data reduction softwareXDS
Data scaling softwareAimless
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.2402.070
High resolution limit [Å]2.0202.020
Rmeas0.0790.780
Number of reflections684084576
<I/σ(I)>8
Completeness [%]98.4
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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