4EHG
B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 100.499, 100.499, 161.305 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.570 - 3.500 |
| R-factor | 0.21519 |
| Rwork | 0.212 |
| R-free | 0.26997 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.531 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.119 | 0.260 |
| Number of reflections | 10670 | |
| <I/σ(I)> | 5.8 | 2.8 |
| Completeness [%] | 98.4 | 99.7 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 12% PEG 8000, 400 mM Ammonium sulfate, 100 mM MES/Malic Acid/ Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
