6T5B
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 | 2018-05-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 32.973, 36.569, 37.129 |
| Unit cell angles | 65.49, 74.17, 77.61 |
Refinement procedure
| Resolution | 31.510 - 1.370 |
| R-factor | 0.1857 |
| Rwork | 0.183 |
| R-free | 0.23070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house structure |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.160 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 1.400 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.028 | 0.048 |
| Number of reflections | 19371 | 97 |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 61.0 | |
| Redundancy | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50mM HEPES pH 7.4, 100mM NaCl, 2mM MgSO4 |
