9N44
Crystal structure of human KRAS-G12C covalent bound to Olomorasib
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.503, 39.464, 53.222 |
| Unit cell angles | 90.00, 96.81, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.110 |
| R-factor | 0.16415 |
| Rwork | 0.163 |
| R-free | 0.18936 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.264 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.140 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Number of reflections | 49674 | 918 |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 75.8 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 100mM Tris HCl pH 7.5 + 26.7% PEG 4K + 200mM Calcium Chloride |
