9BG9
Tri-complex of Daraxonrasib (RMC-6236), KRAS WT, and CypA
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.120, 84.170, 128.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.000 - 1.580 |
| R-factor | 0.2057 |
| Rwork | 0.204 |
| R-free | 0.23140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.809 |
| 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] | 52.000 | 1.636 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.059 | 2.495 |
| Rmeas | 0.064 | |
| Rpim | 0.025 | |
| Number of reflections | 97878 | 9666 |
| <I/σ(I)> | 15.29 | |
| Completeness [%] | 99.4 | 99.27 |
| Redundancy | 6.7 | 6.8 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 25% PEG6000, 0.1 M imidazole, pH 7 |
