4NMM
Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.088, 42.022, 91.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.580 - 1.890 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4epv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.364 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.900 |
| Rmerge | 0.126 | 0.883 |
| Number of reflections | 12363 | |
| <I/σ(I)> | 14.469 | 2.036 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 277 | 0.2M MMT pH4.0, 28% PEG 6,000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
