4EPX
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 | 2010-01-01 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.132, 41.473, 91.726 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.860 - 1.760 |
| R-factor | 0.15398 |
| Rwork | 0.151 |
| R-free | 0.20096 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4epv |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.057 |
| 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] | 45.860 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.099 | 0.106 |
| Number of reflections | 15330 | |
| <I/σ(I)> | 15.2 | 6.8 |
| Completeness [%] | 99.5 | 93.8 |
| Redundancy | 4.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 28% PEG8000, 0.1 M sodium acetate, 5% DMSO, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
