4EPR
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-15 |
| Detector | Bruker Platinum 135 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 94.357, 94.357, 122.356 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.048 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 14406 | |
| Completeness [%] | 99.9 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 291 | 30% PEG4000, 0.1 M sodium phosphate, 0.2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
