3MOW
Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Detector technology | CCD |
| Collection date | 2008-11-05 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.542, 75.977, 48.376 |
| Unit cell angles | 90.00, 98.86, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.1695 |
| Rwork | 0.170 |
| R-free | 0.22220 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3JRL |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.190 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.075 | 0.274 |
| Number of reflections | 12544 | |
| Completeness [%] | 99.4 | 75 |
| Redundancy | 3.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25% w/v polyethylene glycol 3350, 100 mM sodium chloride, and 100 mM HEPES buffer (pH 7.5), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
