9YK2
Crystal structure of TEAD2 with non-covalent aryl ether inhibitor.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.669, 60.820, 80.519 |
| Unit cell angles | 90.00, 110.52, 90.00 |
Refinement procedure
| Resolution | 75.410 - 2.160 |
| R-factor | 0.225 |
| Rwork | 0.222 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.880 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.410 | 2.480 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.180 | |
| Number of reflections | 13848 | 692 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 88.3 | |
| Redundancy | 4.3 | 4.2 |
| CC(1/2) | 0.990 | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 21% PEG 3350, 0.15 M NaSO4, 0.1 M Bis-Tris propane (pH 6.5) |
