9BGD
Tri-complex of Daraxonrasib (RMC-6236), NRAS Q61L, 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 | 2024-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.280, 85.490, 128.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.900 - 1.760 |
| R-factor | 0.2019 |
| Rwork | 0.200 |
| R-free | 0.23740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.866 |
| 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] | 58.900 | 1.823 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.088 | 2.083 |
| Rmeas | 0.094 | 2.233 |
| Rpim | 0.034 | 0.798 |
| Number of reflections | 72994 | 55002 |
| <I/σ(I)> | 11.62 | 1 |
| Completeness [%] | 99.9 | 99.97 |
| Redundancy | 7.5 | 7.6 |
| CC(1/2) | 0.999 | 0.408 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 21% PEG3350, 0.1 M Bis-Tris, pH 5.5, 133 mM sodium chloride |
