3O5X
Crystal structure of the oncogenic tyrosine phosphatase SHP2 complexed with a salicylic acid-based small molecule inhibitor
Replaces: 3JRLExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Collection date | 2009-03-01 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.544, 75.829, 48.214 |
| Unit cell angles | 90.00, 98.53, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| Rwork | 0.196 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b7o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.230 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.660 |
| Number of reflections | 27801 |
| Completeness [%] | 83.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20%PEG3350,1%v/v Tacsimate pH7.0, 100mM NaCl, 100 mM HEPES, pH7.5 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
