8AFC
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12
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 | 2015-11-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 136.040, 136.040, 91.260 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.020 - 2.410 |
| R-factor | 0.2139 |
| Rwork | 0.211 |
| R-free | 0.26560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7U90 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.020 | 2.417 |
| High resolution limit [Å] | 2.409 | 2.409 |
| Rmerge | 0.068 | |
| Rpim | 0.390 | |
| Number of reflections | 19812 | 2808 |
| <I/σ(I)> | 35.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 19.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 100mM NaAc pH 5, 1.5M Ammoniumsulfate |
