6R9H
Crystal structure of the PDZ tandem of syntenin in complex with fragment C58
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 28.937, 56.185, 100.874 |
| Unit cell angles | 82.59, 84.21, 78.59 |
Refinement procedure
| Resolution | 45.910 - 2.000 |
| R-factor | 0.21169 |
| Rwork | 0.208 |
| R-free | 0.24622 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w9e |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.515 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.910 | 2.000 |
| High resolution limit [Å] | 2.000 | 2.072 |
| Rmerge | 0.087 | 0.689 |
| Rmeas | 0.104 | 0.810 |
| Rpim | 0.055 | 0.423 |
| Number of reflections | 40550 | 4087 |
| <I/σ(I)> | 7.57 | 1.53 |
| Completeness [%] | 97.4 | 96.8 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.998 | 0.761 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100 mM Sodium Acetate pH 4.6, 200mM Ammonium Acetate, 22% PEG 3350 |
