8U0H
Crystal structure of PTPN2 with a PROTAC
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 | 2019-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.180, 126.510, 150.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.590 - 1.930 |
| R-factor | 0.1735 |
| Rwork | 0.173 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.719 |
| Data reduction software | autoPROC |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.590 | 1.999 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.063 | 0.690 |
| Number of reflections | 365575 | 5493 |
| <I/σ(I)> | 17.22 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.829 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 296 | 0.49M Sodium phosphate monobasic monohydrate, 0.91M Potassium phosphate dibasic |
