8B78
KRasG12C ligand complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97948 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 94.360, 94.360, 122.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 67.980 - 1.110 |
| R-factor | 0.2243 |
| Rwork | 0.224 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o83 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.980 | 1.170 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmerge | 0.080 | |
| Rmeas | 0.090 | |
| Number of reflections | 66898 | 700 |
| <I/σ(I)> | 10 | 0.7 |
| Completeness [%] | 85.0 | |
| Redundancy | 7.2 | |
| CC(1/2) | 0.997 | 0.372 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350 LITHIUM SULFATE |
