9AYA
Crystal structure of CRAF/MEK complex with NST-628 and active RAF dimer
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 | 2023-05-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.725, 58.202, 162.347 |
| Unit cell angles | 90.00, 95.59, 90.00 |
Refinement procedure
| Resolution | 57.640 - 2.590 |
| R-factor | 0.2141 |
| Rwork | 0.212 |
| R-free | 0.25660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.565 |
| 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] | 161.570 | 2.690 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.075 | 0.544 |
| Number of reflections | 43777 | 2754 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 99.9 | |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2M magnesium chloride, 0.1M tris pH 7.0, 10% w/v PEG 8000 |
