6BMU
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP244
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 | 46.130, 213.450, 55.940 |
| Unit cell angles | 90.00, 96.75, 90.00 |
Refinement procedure
| Resolution | 55.550 - 2.120 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22500 |
| 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] | 213.450 | 2.123 |
| High resolution limit [Å] | 2.116 | 2.116 |
| Rmerge | 0.108 | 0.760 |
| Number of reflections | 59399 | 614 |
| <I/σ(I)> | 9.9 | 1.9 |
| Completeness [%] | 97.4 | 97.9 |
| Redundancy | 5.1 | 5 |
| CC(1/2) | 0.996 | 0.737 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |
