9I8X
Beta-catenin armadillo with cyclic peptide and Compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-25 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 1.03319 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.560, 90.940, 120.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.470 - 2.000 |
| R-factor | 0.22147 |
| Rwork | 0.218 |
| R-free | 0.28596 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.490 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.400 | 2.100 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 39292 | 5333 |
| <I/σ(I)> | 6.69 | |
| Completeness [%] | 97.1 | |
| Redundancy | 7.94 | |
| CC(1/2) | 0.998 | 0.014 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis-TRIS pH 6.5, 0.2 M Lithium sulfate monohydrate, 26% PEG 3350 |
