4EHE
B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-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 | 2010-01-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 108.196, 108.196, 153.103 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.460 - 3.300 |
| R-factor | 0.22838 |
| Rwork | 0.225 |
| R-free | 0.29572 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.438 |
| 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 | 3.480 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.094 | 0.353 |
| Number of reflections | 14042 | |
| <I/σ(I)> | 7 | 2.1 |
| Completeness [%] | 98.9 | 99.9 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG 8000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
