4G9R
B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline 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 | 2009-12-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 96.820, 96.820, 168.718 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.240 - 3.200 |
| R-factor | 0.22903 |
| Rwork | 0.226 |
| R-free | 0.27670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.005 |
| 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 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.146 | 0.368 |
| Number of reflections | 13727 | |
| <I/σ(I)> | 5 | 2 |
| Completeness [%] | 99.1 | 99.6 |
| Redundancy | 3.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris, 16% PEG 8000, 100 mM NDSB-256, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
