6CRG
Crystal Structure of Shp2 E76K GOF Mutant in complex with SHP099
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 | 2016-11-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.436, 214.088, 55.540 |
| Unit cell angles | 90.00, 95.66, 90.00 |
Refinement procedure
| Resolution | 107.040 - 2.750 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.25000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2shp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 107.040 | 2.760 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Number of reflections | 27091 | |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.6 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M Tris pH 8.5, 30% PEG 4000, and 0.2 M LiSO4 |
