9AXY
Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-16 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 117.097, 117.097, 129.424 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.210 - 3.600 |
| R-factor | 0.1903 |
| Rwork | 0.188 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.650 |
| 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] | 53.340 | 3.940 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.257 | 0.918 |
| Number of reflections | 12215 | 2810 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 99.5 | |
| Redundancy | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2 M Lithium chloride, 0.1 M TRIS pH 8, 20% w/v PEG 8000 |
