6UUO
Crystal structure of BRAF kinase domain bound to the PROTAC P4B
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 | 2018-10-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.059, 104.244, 109.904 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.952 - 3.288 |
R-factor | 0.2645 |
Rwork | 0.263 |
R-free | 0.28810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cad |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 109.900 | 3.550 |
High resolution limit [Å] | 3.288 | 3.290 |
Rmerge | 0.312 | 2.030 |
Rmeas | 0.367 | 2.417 |
Number of reflections | 9574 | 1871 |
<I/σ(I)> | 4.3 | 0.9 |
Completeness [%] | 99.3 | 97 |
Redundancy | 6.4 | 6.4 |
CC(1/2) | 0.972 | 0.331 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | 20% PEG 6000, 0.1 M HEPES pH 7.0, 0.2 M Calcium Chloride |