9ZMH
Structure of PTP1b complexed with difluoromethylphosphonate inhibitor Compound 30
This is a non-PDB format compatible entry.
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 | 2021-06-11 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 89.008, 89.008, 105.662 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 77.080 - 1.939 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.23560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.890 |
| Refinement software | BUSTER (2.11.7 (20-MAY-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.083 | 1.941 |
| High resolution limit [Å] | 1.898 | 1.898 |
| Number of reflections | 34209 | 1711 |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 89.1 | |
| Redundancy | 9.7 | |
| CC(1/2) | 0.999 | 0.768 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 13-17% PEG8000, 0.3 M magnesium acetate, 0.1 M HEPES, pH 7.5-7.6 |
