6S66
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.966 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.037, 61.569, 80.021 |
| Unit cell angles | 90.00, 117.38, 90.00 |
Refinement procedure
| Resolution | 71.060 - 2.200 |
| R-factor | 0.2047 |
| Rwork | 0.202 |
| R-free | 0.26240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.681 |
| Data reduction software | HKL-2000 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.060 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.024 | 0.223 |
| Number of reflections | 26613 | 2625 |
| <I/σ(I)> | 15.3 | |
| Completeness [%] | 98.6 | 98.1 |
| Redundancy | 1.9 | |
| CC(1/2) | 0.999 | 0.934 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.8M sodium formate |
