8AAO
Crystal structure of the PDZ tandem of syntenin in complex with compound 95
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972423 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.206, 48.257, 74.942 |
| Unit cell angles | 90.00, 120.55, 90.00 |
Refinement procedure
| Resolution | 44.010 - 2.469 |
| R-factor | 0.2063 |
| Rwork | 0.203 |
| R-free | 0.27920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n99 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.050 |
| 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] | 44.010 | 2.557 |
| High resolution limit [Å] | 2.469 | 2.469 |
| Rmerge | 0.055 | 0.663 |
| Rpim | 0.026 | 0.305 |
| Number of reflections | 9873 | 1149 |
| <I/σ(I)> | 17.69 | |
| Completeness [%] | 85.7 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.999 | 0.767 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM sodium acetate 200mM ammonium acetate 20% PEG 3350 |
