7O83
KRasG12C ligand complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-01 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.509, 39.227, 65.721 |
| Unit cell angles | 96.39, 95.01, 103.15 |
Refinement procedure
| Resolution | 37.850 - 2.380 |
| R-factor | 0.2261 |
| Rwork | 0.223 |
| R-free | 0.29080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | na |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.852 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.440 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.030 | 0.550 |
| Number of reflections | 11933 | 853 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 97.4 | |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50mM HEPES, 100mM NaCl, 2mM MgSO4 |
