8B6I
KRasG12C ligand complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98005 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.650, 39.190, 65.590 |
| Unit cell angles | 95.63, 95.18, 103.25 |
Refinement procedure
| Resolution | 21.730 - 1.700 |
| R-factor | 0.1983 |
| Rwork | 0.196 |
| R-free | 0.24130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7o83 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.860 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.037 | 0.265 |
| Rmeas | 0.052 | 0.375 |
| Rpim | 0.037 | 0.265 |
| Total number of observations | 60290 | 4003 |
| Number of reflections | 32694 | 2162 |
| <I/σ(I)> | 11.4 | 2.2 |
| Completeness [%] | 91.8 | 82.1 |
| Redundancy | 1.8 | 1.9 |
| CC(1/2) | 0.998 | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350 LITHIUM SULFATE |
