8TXE
Crystal structure of KRAS G12D in complex with GDP and compound 5
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 | 2021-06-05 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.815, 62.166, 71.925 |
| Unit cell angles | 90.00, 91.86, 90.00 |
Refinement procedure
| Resolution | 29.770 - 1.350 |
| R-factor | 0.1895 |
| Rwork | 0.188 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.770 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 59639 | 2982 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 84.0 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.999 | 0.745 |
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 |
