5EHP
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-02-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.310, 213.730, 55.980 |
Unit cell angles | 90.00, 96.82, 90.00 |
Refinement procedure
Resolution | 27.090 - 1.850 |
R-factor | 0.1762 |
Rwork | 0.174 |
R-free | 0.20840 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2shp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BUSTER |
Refinement software | BUSTER (BUSTER 2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.044 | 0.362 |
Number of reflections | 87497 | |
<I/σ(I)> | 15.9 | 2.1 |
Completeness [%] | 95.9 | 76.4 |
Redundancy | 3.2 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG 3350, 200mM Ammonium Phosphate |