9BHO
Crystal structure of KRAS G12S in a transition state mimetic complex with CYPA and RMC-7977
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 | 2023-12-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.292, 83.048, 127.632 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.790 - 1.890 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.007 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.790 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmeas | 0.105 | 0.717 |
| Number of reflections | 54157 | 2210 |
| <I/σ(I)> | 21.778 | |
| Completeness [%] | 96.7 | |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 100 mM Tris pH 8.5, 15% PEG 20000 |
