4XV1
B-Raf Kinase V600E oncogenic mutant in complex with PLX7904
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.331, 104.817, 110.228 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.958 - 2.470 |
| R-factor | 0.236 |
| Rwork | 0.234 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.723 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.958 | 2.600 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.903 | |
| Number of reflections | 22008 | |
| <I/σ(I)> | 7.8 | 1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 100MM BISTRIS AT PH 6.0, 12.5% 2,5- HEXANEDIOL, 12% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K |
