9O0O
Crystal structure of GMPPNP-bound wild type KRAS in complex with MRTX1133
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 2 3 |
| Unit cell lengths | 89.430, 89.430, 89.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.430 - 1.900 |
| R-factor | 0.1711 |
| Rwork | 0.169 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.929 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.430 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.101 | 1.505 |
| Rpim | 0.062 | 0.919 |
| Number of reflections | 19081 | 1239 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.997 | 0.454 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 2M lithium sulfate, 15mM magnesium chloride, 5mM spermidine, 50mM sodium cacodylate pH 6.0 |
