6BMY
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP844
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 | 2017-06-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.050, 213.710, 55.980 |
| Unit cell angles | 90.00, 96.71, 90.00 |
Refinement procedure
| Resolution | 106.850 - 2.090 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.22800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6bmr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 213.709 | 2.092 |
| High resolution limit [Å] | 2.085 | 2.085 |
| Rmerge | 0.079 | 0.568 |
| Number of reflections | 59793 | 453 |
| <I/σ(I)> | 10.4 | 3.3 |
| Completeness [%] | 94.0 | 67.2 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.997 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |
