9BG5
Tri-complex of Daraxonrasib (RMC-6236), KRAS G13D, 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 | 2024-03-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.280, 84.530, 128.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.470 - 1.670 |
| R-factor | 0.2253 |
| Rwork | 0.223 |
| R-free | 0.26640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.827 |
| 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] | 40.470 | 1.730 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.096 | 2.471 |
| Rmeas | 0.103 | 2.668 |
| Rpim | 0.038 | 0.993 |
| Number of reflections | 84194 | 8308 |
| <I/σ(I)> | 10.53 | 0.86 |
| Completeness [%] | 99.9 | 99.64 |
| Redundancy | 7.4 | 7.1 |
| CC(1/2) | 0.998 | 0.342 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 24% PEG4000, 0.1 M imidazole, pH 7 |
