9YOW
Crystal structure of GMPPNP bound KRAS G12C in complex with CYPA and RMC-4791
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-10-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.518, 102.029, 66.353 |
| Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
| Resolution | 33.180 - 1.570 |
| R-factor | 0.2245 |
| Rwork | 0.222 |
| R-free | 0.24550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.587 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.180 | 1.840 |
| High resolution limit [Å] | 1.570 | 1.740 |
| Rmerge | 1.264 | |
| Rmeas | 0.265 | |
| Rpim | 0.128 | 0.718 |
| Number of reflections | 87926 | 9389 |
| <I/σ(I)> | 3.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 4.1 | 3.9 |
| CC(1/2) | 0.968 | 0.413 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.1 M Tris pH 8.0, 0.2 M NaCl, 20% PEG 6000 |
