4RZW
Crystal structure of BRAF (R509H) kinase domain bound to AZ628
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 86.077, 114.823, 56.444 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.762 - 3.493 |
| R-factor | 0.2485 |
| Rwork | 0.247 |
| R-free | 0.28040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c4c |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.888 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1819)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.600 |
| High resolution limit [Å] | 3.493 | 3.493 |
| Rmerge | 0.200 | 0.670 |
| Number of reflections | 7524 | |
| Completeness [%] | 99.7 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M HEPES pH 7.0, 0.2 M Mg(NO3)2, 18% (w/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
