12LC
Crystal structure of human KRAS G12C covalently bound to AM-8719
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.1807 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 94.340, 94.340, 119.531 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.900 - 1.900 |
| R-factor | 0.21735 |
| Rwork | 0.215 |
| R-free | 0.26416 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.299 |
| Data reduction software | XDS (v2022) |
| Data scaling software | XDS (v2022) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.097 | 1.950 |
| Number of reflections | 31218 | 5006 |
| <I/σ(I)> | 14.59 | 0.91 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 6.85 | 6.53 |
| CC(1/2) | 0.999 | 0.407 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 200mM lithium sulfate, 100mM TRIS, 30% PEG 4000, 5mM magnesium chloride |
