6V2U
Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 89.618, 89.618, 164.583 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.480 - 3.780 |
R-factor | 0.282 |
Rwork | 0.281 |
R-free | 0.30890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5csw |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.480 | 3.915 |
High resolution limit [Å] | 3.780 | 3.780 |
Rmerge | 0.368 | |
Rmeas | 0.415 | |
Rpim | 0.186 | 0.609 |
Number of reflections | 6877 | 680 |
<I/σ(I)> | 4.47 | 1.54 |
Completeness [%] | 95.5 | 98.26 |
Redundancy | 4.3 | 4.4 |
CC(1/2) | 0.979 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM Tris pH 7, 2.5 M Sodium Chloride, 100 mM Magnesium Chloride |