7YCE
KRas G12C in complex with Compound 7b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2021-06-09 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 94.809, 94.809, 119.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.940 - 1.800 |
| R-factor | 0.2747 |
| Rwork | 0.274 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l8g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.808 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 22.940 | 22.930 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.068 | 0.022 | 0.185 |
| Rmeas | 0.073 | 0.024 | 0.195 |
| Rpim | 0.025 | 0.010 | 0.060 |
| Total number of observations | 1071 | 11943 | |
| Number of reflections | 17961 | 170 | 1163 |
| <I/σ(I)> | 18.7 | 39.5 | 5.3 |
| Completeness [%] | 92.9 | 94.4 | 100 |
| Redundancy | 8.7 | 6.3 | 10.3 |
| CC(1/2) | 0.987 | 0.999 | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | MES, ammonium sulfate, PEG550MME |
