9AXX
Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-06 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97629 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.213, 82.408, 121.552 |
| Unit cell angles | 90.00, 105.65, 90.00 |
Refinement procedure
| Resolution | 41.200 - 2.070 |
| R-factor | 0.2147 |
| Rwork | 0.213 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.557 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.520 | 2.110 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.068 | 0.709 |
| Number of reflections | 83556 | 2636 |
| <I/σ(I)> | 17.6 | |
| Completeness [%] | 99.2 | |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.24 M di-ammonium hydrogen phosphate pH 8.0, 20% w/v PEG 3350 |
