9BG6
Tri-complex of Daraxonrasib (RMC-6236), KRAS G12V, and CypA
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 | 2023-06-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.370, 84.230, 127.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.920 - 1.660 |
| R-factor | 0.2086 |
| Rwork | 0.207 |
| R-free | 0.24010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.814 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.920 | 1.719 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.067 | 2.250 |
| Rmeas | 0.073 | 2.435 |
| Rpim | 0.028 | 0.922 |
| Number of reflections | 85297 | 8403 |
| <I/σ(I)> | 13.03 | |
| Completeness [%] | 99.9 | 99.89 |
| Redundancy | 6.6 | 6.8 |
| CC(1/2) | 0.999 | 0.372 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 25% PEG6000, 0.1 M imidazole, pH 7 |
