9V90
Crystal structure of the PDZ tandem of syntenin in complex with PDZ2 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.869, 30.088, 91.056 |
| Unit cell angles | 90.00, 90.85, 90.00 |
Refinement procedure
| Resolution | 29.930 - 1.400 |
| R-factor | 0.1864 |
| Rwork | 0.185 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8blu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.933 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.680 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.082 | 1.153 |
| Number of reflections | 64791 | 3233 |
| <I/σ(I)> | 15.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 16.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.4 M ammonium acetate, 0.1 M Sodium acetate, 20% PEG 3,350 |
