4EPT
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 | 2011-02-10 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 93.055, 93.055, 37.202 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.23157 |
| Rwork | 0.229 |
| R-free | 0.27436 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lf5 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.024 |
| 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 |
| Rmerge | 0.113 | 0.280 |
| Number of reflections | 12614 | |
| <I/σ(I)> | 10.2 | 4.1 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 4.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 30% PEG8000, 0.1 M MES, 0.2 M sodium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
