9AY7
Crystal structure of CRAF/MEK1 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 | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.030, 107.950, 116.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.950 - 2.410 |
| R-factor | 0.2029 |
| Rwork | 0.201 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.436 |
| 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] | 48.950 | 2.500 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Rmerge | 0.112 | 1.148 |
| Number of reflections | 29864 | 2786 |
| <I/σ(I)> | 15.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 0.2M sodium acetate pH 8.0, 20% w/v PEG 3350 |
