9GAX
TEAD1 in complex with a reversible inhibitor N-[(1S)-2-hydroxy-1-(1-methyl-1H-pyrazol-3-yl)ethyl]-2-methyl-8-[4-(trifluoromethyl)phenyl]-2H,8H-pyrazolo[3,4-b]indole-5-carboxamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 107.995, 107.995, 132.202 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.190 - 1.930 |
| R-factor | 0.1875 |
| Rwork | 0.186 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.021 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.636 | 2.065 |
| High resolution limit [Å] | 1.928 | 1.928 |
| Rmeas | 0.173 | |
| Rpim | 0.055 | 0.512 |
| Number of reflections | 48555 | 2429 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 92.8 | |
| Redundancy | 8.9 | |
| CC(1/2) | 0.998 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3.5 M Ammonium sulfate, 1% (v/v) MPD, 0.1 M MES pH 6.5 |
