8AAP
Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-03 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980114 |
| Spacegroup name | P 1 |
| Unit cell lengths | 29.433, 56.822, 56.933 |
| Unit cell angles | 109.67, 104.39, 101.55 |
Refinement procedure
| Resolution | 50.850 - 2.174 |
| Rwork | 0.204 |
| R-free | 0.25640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n99 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | autoPROC |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (11-DEC-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.850 | 2.494 |
| High resolution limit [Å] | 2.174 | 2.408 |
| Rmerge | 0.057 | 0.352 |
| Rpim | 0.036 | 0.224 |
| Number of reflections | 16420 | 1198 |
| <I/σ(I)> | 14.18 | |
| Completeness [%] | 95.6 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.997 | 0.941 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM sodium acetate 200mM ammonium acetate 20% PEG 3350 |
