8C7Y
Crystal structure of BRAF V600E in complex with a hybrid compound 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.269, 97.739, 115.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.550 - 1.650 |
| R-factor | 0.15344 |
| Rwork | 0.152 |
| R-free | 0.17504 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.627 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.550 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.067 | 0.245 |
| Rmeas | 0.071 | 0.266 |
| Rpim | 0.024 | 0.102 |
| Number of reflections | 67419 | 9443 |
| <I/σ(I)> | 19.3 | 6.4 |
| Completeness [%] | 99.4 | |
| Redundancy | 8.1 | 6.5 |
| CC(1/2) | 0.999 | 0.958 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 13% PEG3350, 0.2M sodium nitrate, 5% ethylene glycol |
