6MDA
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4
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 | 2014-05-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.630, 213.290, 56.000 |
| Unit cell angles | 90.00, 96.86, 90.00 |
Refinement procedure
| Resolution | 43.800 - 2.210 |
| Rwork | 0.188 |
| R-free | 0.25100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2shp |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 213.290 | 2.220 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.092 | 0.527 |
| Number of reflections | 50635 | |
| <I/σ(I)> | 9.1 | 2.5 |
| Completeness [%] | 94.1 | 90.5 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |
