8TXH
Crystal structure of KRAS G12D in complex with GDP and compound 14
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 | 2021-12-14 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.475, 62.392, 72.132 |
| Unit cell angles | 90.00, 91.86, 90.00 |
Refinement procedure
| Resolution | 29.640 - 1.200 |
| R-factor | 0.1911 |
| Rwork | 0.190 |
| R-free | 0.20330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| 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] | 29.640 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 89215 | 4461 |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 87.8 | |
| Redundancy | 4 | |
| CC(1/2) | 0.998 | 0.805 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 286.15 | 0.1 M Sodium Acetate pH 4.5, 40% PEG 400 |
