8AAK
Crystal structure of the PDZ tandem of syntenin in complex with compound 29
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 | 2018-02-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.660, 96.910, 103.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.450 - 2.554 |
| R-factor | 0.2178 |
| Rwork | 0.214 |
| R-free | 0.28220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w9e |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| 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] | 48.450 | 2.646 |
| High resolution limit [Å] | 2.554 | 2.554 |
| Rmerge | 0.131 | 1.340 |
| Rpim | 0.050 | 0.515 |
| Number of reflections | 11941 | 1167 |
| <I/σ(I)> | 9.71 | |
| Completeness [%] | 99.8 | |
| Redundancy | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 100mM sodium acetate 200mM ammonium acetate 20% PEG3350 |
