6MDD
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
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 | 2011-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.419, 214.800, 56.092 |
| Unit cell angles | 90.00, 96.96, 90.00 |
Refinement procedure
| Resolution | 41.000 - 2.050 |
| Rwork | 0.213 |
| 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] | 214.800 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.094 | 0.468 |
| Number of reflections | 64653 | |
| <I/σ(I)> | 9.6 | 2.2 |
| Completeness [%] | 95.6 | 95.3 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |
