9CTB
Tri-complex of zoldonrasib (RMC-9805), KRAS G12D, 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 | 2024-01-12 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.95302 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.510, 101.840, 66.760 |
| Unit cell angles | 90.00, 90.75, 90.00 |
Refinement procedure
| Resolution | 35.990 - 1.290 |
| R-factor | 0.1591 |
| Rwork | 0.157 |
| R-free | 0.19360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.987 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.990 | 1.336 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.067 | |
| Number of reflections | 154502 | 15130 |
| <I/σ(I)> | 8.22 | |
| Completeness [%] | 97.1 | |
| Redundancy | 3.9 | |
| CC(1/2) | 0.998 | 0.330 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MES 5.5, 20% PEG3350, 0.1 M NaCl |
