6NSQ
Crystal structure of BRAF kinase domain bound to the inhibitor 2l
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 62.543, 89.393, 112.982 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.540 - 3.050 |
R-factor | 0.2369 |
Rwork | 0.235 |
R-free | 0.27460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r5y |
RMSD bond length | 0.002 |
RMSD bond angle | 0.492 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.540 | 3.159 |
High resolution limit [Å] | 3.050 | 3.050 |
Rmerge | 0.072 | 0.721 |
Rmeas | 0.102 | |
Number of reflections | 12438 | 1175 |
<I/σ(I)> | 6.11 | 0.96 |
Completeness [%] | 98.3 | 94.26 |
Redundancy | 2 | 2 |
CC(1/2) | 0.996 | 0.405 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 25% PEG 3350, 0.1M Bis-Tris Propane pH 7.75, 0.2M Sodium Malonate |