6QUX
Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-20 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.761, 72.728, 54.858 |
| Unit cell angles | 90.00, 103.69, 90.00 |
Refinement procedure
| Resolution | 37.330 - 1.620 |
| R-factor | 0.205 |
| Rwork | 0.204 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.350 |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.300 | 1.622 |
| High resolution limit [Å] | 1.600 | 1.616 |
| Rmerge | 0.053 | 0.597 |
| Number of reflections | 41613 | |
| <I/σ(I)> | 14.3 | 1.9 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 3.4 | |
| CC(1/2) | 0.996 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.4 | 277 | 52% MPD, 0.06 M MES |
