8QQG
Structure of BRAF in Complex With Exarafenib (KIN-2787).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-13 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.999 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 206.778, 206.778, 149.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 146.214 - 2.979 |
Rwork | 0.224 |
R-free | 0.26120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.349 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 146.214 | 3.134 |
High resolution limit [Å] | 2.979 | 2.979 |
Number of reflections | 29475 | 1472 |
<I/σ(I)> | 6.9 | |
Completeness [%] | 93.9 | |
Redundancy | 15.9 | |
CC(1/2) | 0.965 | 0.359 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 M Hepes pH 6.7, 3.9 M NaCl, 0.10 M SCN |