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 |