7O70
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 | 2019-06-10 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.380, 70.460, 66.150 |
| Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
| Resolution | 17.030 - 1.180 |
| R-factor | 0.2271 |
| Rwork | 0.226 |
| R-free | 0.25660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NA |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.045 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.080 | 33.080 | 1.220 |
| High resolution limit [Å] | 1.180 | 5.160 | 1.180 |
| Rmerge | 0.045 | 0.034 | 0.268 |
| Rmeas | 0.054 | 0.040 | 0.378 |
| Rpim | 0.029 | 0.022 | 0.265 |
| Total number of observations | 226688 | ||
| Number of reflections | 75362 | 1182 | 597 |
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 75.8 | 94.6 | |
| Redundancy | 3 | 3.5 | 1.3 |
| CC(1/2) | 0.998 | 0.997 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50mM HEPES pH 7.4, 100mM NaCl, 2mM MgSO4 |
