4EPV
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 | 2010-01-15 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.140, 41.066, 91.955 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.980 - 1.350 |
| R-factor | 0.16544 |
| Rwork | 0.164 |
| R-free | 0.19385 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ept |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.354 |
| 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] | 45.980 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.092 | 0.200 |
| Number of reflections | 32293 | |
| <I/σ(I)> | 14.2 | 4.1 |
| Completeness [%] | 96.9 | 72.4 |
| Redundancy | 4.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | 25% PEG1500, 0.1 M MMT, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
