9C55
Crystal structure of human PTPN2 in complex with active site inhibitor
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 | 2022-04-01 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 83.392, 223.052, 36.585 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.700 - 2.360 |
| R-factor | 0.2005 |
| Rwork | 0.199 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.548 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.110 | 2.490 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmeas | 0.111 | 0.815 |
| Rpim | 0.044 | 0.321 |
| Number of reflections | 14667 | 2106 |
| <I/σ(I)> | 12.7 | 2.4 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.998 | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES/imidazole pH6.5, 7% w/v Peg 8000, 14% v/v ethylene glycol, 30mM sodium l-glutamate, 30mM dl-alanine, 30mM glycine, 30mM dl-lysine HCl, 30mM dl-serine |
