8QUG
KRAS-G12C in Complex with Compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.972422 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.021, 91.021, 52.737 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.560 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC ((Version 1.1.7)) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.362 | 1.654 |
| High resolution limit [Å] | 1.560 | 1.562 |
| Rmerge | 0.041 | 1.622 |
| Number of reflections | 26183 | 619 |
| <I/σ(I)> | 26.2 | 1.4 |
| Completeness [%] | 81.9 | 26.4 |
| Redundancy | 12.6 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 25% PEG3350, 0.1 M BisTris, 0.27M NH4Ac |
