8AFB
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474)
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 | 2017-06-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99998 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 68.675, 40.513, 56.472 |
| Unit cell angles | 90.00, 95.67, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.120 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7U90 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.200 | 1.137 |
| High resolution limit [Å] | 1.118 | 1.118 |
| Number of reflections | 40307 | 807 |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 81.7 | |
| Redundancy | 3.2 | |
| CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 10% PEG8000, 10% PEG1000 |
