6S60
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 | 123.780, 61.676, 79.999 |
| Unit cell angles | 90.00, 117.66, 90.00 |
Refinement procedure
| Resolution | 70.860 - 2.000 |
| R-factor | 0.1928 |
| Rwork | 0.191 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dqe |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.838 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.860 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.027 | 0.332 |
| Number of reflections | 35914 | 3572 |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 98.9 | 99.1 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.999 | 0.879 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.8M sodium formate |
