8AZX
KRAS-G12C in complex with BI-2865
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000004 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 86.505, 40.645, 56.018 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.790 - 1.040 |
| R-factor | 0.1629 |
| Rwork | 0.161 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8afb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.104 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.020 | 1.171 |
| High resolution limit [Å] | 1.040 | 1.042 |
| Rmerge | 0.057 | 0.864 |
| Number of reflections | 56889 | 2845 |
| <I/σ(I)> | 17.4 | 2.2 |
| Completeness [%] | 94.6 | 68.3 |
| Redundancy | 12.3 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4 |
