6BMW
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504
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 | 46.270, 214.130, 56.030 |
| Unit cell angles | 90.00, 96.68, 90.00 |
Refinement procedure
| Resolution | 107.060 - 2.100 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6bmr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| 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] | 214.127 | 2.106 |
| High resolution limit [Å] | 2.099 | 2.099 |
| Rmerge | 0.102 | 0.907 |
| Number of reflections | 62285 | 619 |
| <I/σ(I)> | 9.4 | 2 |
| Completeness [%] | 99.0 | 97.2 |
| Redundancy | 3.3 | 3.2 |
| CC(1/2) | 0.995 | 0.508 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |
