8AQ5
KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000323 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.105, 40.324, 52.292 |
| Unit cell angles | 90.00, 100.95, 90.00 |
Refinement procedure
| Resolution | 37.690 - 1.800 |
| R-factor | 0.1774 |
| Rwork | 0.175 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7r0q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.270 | 1.670 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.053 | 0.316 |
| Number of reflections | 18097 | 905 |
| <I/σ(I)> | 13.5 | 2.4 |
| Completeness [%] | 78.8 | 32.4 |
| Redundancy | 4.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 3350, 0.1 M sodium acetate |
