5CSW
B-RAF in complex with Dabrafenib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-07-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9996 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.359, 48.095, 101.168 |
| Unit cell angles | 90.00, 95.32, 90.00 |
Refinement procedure
| Resolution | 100.730 - 2.660 |
| R-factor | 0.2201 |
| Rwork | 0.217 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c4c |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.308 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.730 | 2.870 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.090 | 0.438 |
| Number of reflections | 16044 | |
| <I/σ(I)> | 4.6 | 1.5 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 3350 |
