9OUI
K-Ras G12D 1-169 bound to MRTX-1133 at 313 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 313 |
| Detector technology | PIXEL |
| Collection date | 2024-09-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.443, 52.349, 79.972 |
| Unit cell angles | 90.00, 91.67, 90.00 |
Refinement procedure
| Resolution | 27.720 - 1.860 |
| Rwork | 0.165 |
| R-free | 0.17100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.657 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.720 | 1.910 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.070 | 0.889 |
| Number of reflections | 37976 | 2699 |
| <I/σ(I)> | 16 | 2 |
| Completeness [%] | 99.5 | 96.9 |
| Redundancy | 7 | |
| CC(1/2) | 0.999 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 26% PEG8000, 150 mM ammonium acetate, 100 mM sodium citrate, pH 5.7 |
