8S6A
X-ray structure of Dishevelled 3 PDZ domain in a complex with a class III peptide ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-02 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.3418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.910, 42.560, 48.290 |
| Unit cell angles | 90.00, 96.09, 90.00 |
Refinement procedure
| Resolution | 48.020 - 1.360 |
| R-factor | 0.18522 |
| Rwork | 0.182 |
| R-free | 0.24651 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.880 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.020 | 1.390 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rpim | 0.020 | 1.421 |
| Number of reflections | 40696 | 1995 |
| <I/σ(I)> | 17.3 | 0.5 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 7.4 | 4.5 |
| CC(1/2) | 0.998 | 0.221 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.2 M ammonium acetate, 0.1 M sodium acetate, 22.5% PEG 4000, 10% glycerol |
