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4RI5

Crystal structure of PTPN3 (PTPH1) D811E mutant in complex with metavanadate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL15A1
Synchrotron siteNSRRC
BeamlineBL15A1
Temperature [K]100
Detector technologyCCD
Collection date2013-04-16
DetectorRAYONIX MX300HE
Wavelength(s)1.0000
Spacegroup nameC 2 2 21
Unit cell lengths95.162, 96.071, 141.722
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution25.535 - 1.260
R-factor0.1599
Rwork0.159
R-free0.17320
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4rh5
RMSD bond length0.011
RMSD bond angle1.392
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASES
Refinement softwarePHENIX ((phenix.refine: 1.8.4_1496))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.310
High resolution limit [Å]1.2601.260
Rmerge0.0400.420
Number of reflections170606
<I/σ(I)>37.12.2
Completeness [%]97.990.3
Redundancy5.14.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52930.1M Tris-HCl, 21% PEG 800, 5% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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