8YGQ
Crystal structure of Human TEAD2 in complex with Cobimetinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2020-07-15 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.303, 61.774, 80.361 |
| Unit cell angles | 90.00, 117.70, 90.00 |
Refinement procedure
| Resolution | 39.270 - 2.710 |
| R-factor | 0.198 |
| Rwork | 0.191 |
| R-free | 0.25730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.209 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.300 | 2.790 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.050 | |
| Rpim | 0.050 | |
| Number of reflections | 14701 | 475 |
| <I/σ(I)> | 18.69 | |
| Completeness [%] | 84.0 | |
| Redundancy | 9.4 | |
| CC(1/2) | 0.996 | 0.982 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M HEPS pH 7.0, 2.6 M sodium formate |
