9ECU
Crystal structure of the inactive BRAF/MEK1 complex bound to IK-595
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-11 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 116.690, 116.690, 129.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.090 - 3.460 |
| R-factor | 0.20215 |
| Rwork | 0.200 |
| R-free | 0.23730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.887 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.090 | 3.790 |
| High resolution limit [Å] | 3.460 | 3.460 |
| Number of reflections | 13767 | 3241 |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20 | |
| CC(1/2) | 0.995 | 0.676 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 25% w/v PEG 3350 |
