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4GE5

Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 5

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Detector technologyCCD
DetectorADSC QUANTUM 210r
Spacegroup nameP 1
Unit cell lengths40.260, 57.170, 66.422
Unit cell angles77.55, 78.23, 79.97
Refinement procedure
Resolution50.000 - 2.000
Rwork0.187
R-free0.22280
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)4ge2
RMSD bond length0.006
RMSD bond angle1.182
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Refinement softwareCNS (1.1)
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]1.760
Rmerge0.083
Number of reflections52574
Completeness [%]95.6
Redundancy2.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.729825% PEG3350, 0.2 M potassium thiocyanate, 10% ethylene glycol, 0.1 M Bis-Tris propane, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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