8TXG
Crystal structure of KRAS G12D in complex with GDP and compound 8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2021-06-22 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 74.327, 74.327, 202.985 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.280 - 1.500 |
| R-factor | 0.1989 |
| Rwork | 0.198 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.980 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.280 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 31953 | 1599 |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 86.2 | |
| Redundancy | 6.2 | |
| CC(1/2) | 0.999 | 0.477 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 286.15 | 2.0 M Ammonium Sulfate, 15% ethylene glycol, 0.1 M Tris pH 8.5 |
