5IBS
Structure of E76Q, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
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 | 2015-02-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.460, 214.770, 55.380 |
| Unit cell angles | 90.00, 95.59, 90.00 |
Refinement procedure
| Resolution | 23.390 - 2.320 |
| R-factor | 0.1887 |
| Rwork | 0.186 |
| R-free | 0.23790 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2shp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 107.400 | 2.324 |
| High resolution limit [Å] | 2.316 | 2.316 |
| Rmerge | 0.131 | 0.795 |
| Number of reflections | 45260 | |
| <I/σ(I)> | 7.9 | 2.1 |
| Completeness [%] | 98.9 | 98 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.989 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris, 20% PEG 3350 and 1 mM TCEP |
