8CQY
Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 76.878, 76.878, 46.253 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.580 - 1.700 |
| R-factor | 0.1694 |
| Rwork | 0.168 |
| R-free | 0.20258 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.648 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.580 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 17566 | 1726 |
| <I/σ(I)> | 12.51 | |
| Completeness [%] | 99.5 | |
| Redundancy | 13.9 | |
| CC(1/2) | 0.997 | 0.887 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 20% w/v PEG 3350, 0.2 M NaSCN at pH 7 |
