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 |
