5IBM
Structure of S502P, 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) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.190, 214.240, 55.470 |
| Unit cell angles | 90.00, 95.55, 90.00 |
Refinement procedure
| Resolution | 43.600 - 2.180 |
| R-factor | 0.1917 |
| Rwork | 0.189 |
| R-free | 0.23970 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2shp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| 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] | 107.130 | 2.188 |
| High resolution limit [Å] | 2.160 | 2.181 |
| Rmerge | 0.086 | 0.730 |
| Number of reflections | 53974 | |
| <I/σ(I)> | 9.7 | 2.1 |
| Completeness [%] | 99.2 | 99.7 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.997 |
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 |
