6QUV
Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R
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 | 2018-07-19 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.440, 72.203, 54.611 |
| Unit cell angles | 90.00, 103.23, 90.00 |
Refinement procedure
| Resolution | 36.980 - 1.475 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS ((VERSION Jan 26) |
| Data scaling software | autoPROC ((Version 1.1.7)) |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.162 | 1.574 |
| High resolution limit [Å] | 1.475 | 1.475 |
| Rmerge | 0.044 | 0.773 |
| Number of reflections | 43902 | |
| <I/σ(I)> | 14.4 | 1.5 |
| Completeness [%] | 81.3 | 22.9 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.4 | 277 | 52% MPD, 0.06 M MES |
