4PVG
Crystal structure of protein tyrosine phosphatase Shp2 catalytic domain complex with small molecular compound L88N79
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4r |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.031, 40.921, 48.934 |
| Unit cell angles | 94.58, 109.19, 109.95 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.2361 |
| Rwork | 0.236 |
| R-free | 0.28650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b7o |
| 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] | 2.100 |
| Number of reflections | 12808 |
| Completeness [%] | 82.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 298 | 30% w/v polyethylene glycol 3350, 100 mM NaCl, 1mM L88N79 and 100mM HEPES (pH 7.7) , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
