6S69
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 | 121.539, 61.665, 80.055 |
| Unit cell angles | 90.00, 117.66, 90.00 |
Refinement procedure
| Resolution | 70.900 - 2.150 |
| R-factor | 0.2028 |
| Rwork | 0.200 |
| R-free | 0.25450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.691 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.900 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.028 | 0.395 |
| Number of reflections | 27656 | 2738 |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 96.4 | |
| Redundancy | 1.7 | |
| CC(1/2) | 0.999 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.8M sodium formate |
