4H1O
Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
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 | 2011-11-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 54.979, 220.277, 41.648 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.960 - 2.200 |
| R-factor | 0.2108 |
| Rwork | 0.210 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2shp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | XSCALL |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.106 | 0.520 |
| Number of reflections | 26689 | |
| <I/σ(I)> | 11.1 | 2.68 |
| Completeness [%] | 99.3 | 96.2 |
| Redundancy | 6.25 | 6.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.9 | 293 | 0.02M DDT, 0.1M Tris pH7.9, 13% PEG4000, 0.1M LiCl , VAPOR DIFFUSION, temperature 293K |
