8SKL
PTP1B in complex with 182
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2023-03-31 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.961, 87.961, 104.345 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.980 - 1.550 |
| R-factor | 0.177 |
| Rwork | 0.176 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.822 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.980 | 1.605 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmeas | 0.023 | 0.371 |
| Number of reflections | 68175 | 6761 |
| <I/σ(I)> | 16.37 | |
| Completeness [%] | 100.0 | |
| Redundancy | 2 | |
| CC(1/2) | 1.000 | 0.847 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 278 | 0.2 M Ammonium Tartrate, 20% w/v PEG 3350 |
