7UAD
Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484
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 | 2019-08-01 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.650, 142.780, 77.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.390 - 2.044 |
| R-factor | 0.2053 |
| Rwork | 0.203 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l8k |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS (Nov 11, 201) |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.385 | 2.263 |
| High resolution limit [Å] | 2.044 | 2.044 |
| Rpim | 0.036 | 0.535 |
| Number of reflections | 17024 | 851 |
| <I/σ(I)> | 13.3 | 1.6 |
| Completeness [%] | 88.1 | 50.5 |
| Redundancy | 6.4 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 25% PEG3350, 0.2 M ammonium sulfate, 0.1 M Tris, pH 8.5 |
