6T5U
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 | 2019-06-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.597, 41.084, 65.192 |
| Unit cell angles | 78.47, 85.59, 68.14 |
Refinement procedure
| Resolution | 31.940 - 1.720 |
| R-factor | 0.2399 |
| Rwork | 0.237 |
| R-free | 0.29080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house model |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.126 |
| 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] | 31.940 | 1.765 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.005 | 0.720 |
| Number of reflections | 28875 | 2168 |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 90.0 | |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 50mM HEPES, 100mM NaCl, 2mM MgSO4 |
