4LUC
Crystal Structure of small molecule disulfide 6 bound to K-Ras G12C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 32.822, 39.083, 62.457 |
| Unit cell angles | 77.86, 81.54, 77.55 |
Refinement procedure
| Resolution | 19.370 - 1.290 |
| R-factor | 0.1522 |
| Rwork | 0.152 |
| R-free | 0.16940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.928 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX (dev_1402) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.310 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.065 | 0.279 |
| Number of reflections | 70575 | |
| <I/σ(I)> | 13.09 | 4.411 |
| Completeness [%] | 95.2 | 91.3 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 25% PEG8000, 0.1M CaCl2, 0.1M TRIS, pH 7.5, vapor diffusion, hanging drop, temperature 293K |
