8C7Y
Crystal structure of BRAF V600E in complex with a hybrid compound 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97624 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.269, 97.739, 115.279 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.550 - 1.650 |
R-factor | 0.15344 |
Rwork | 0.152 |
R-free | 0.17504 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.627 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.550 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.067 | 0.245 |
Rmeas | 0.071 | 0.266 |
Rpim | 0.024 | 0.102 |
Number of reflections | 67419 | 9443 |
<I/σ(I)> | 19.3 | 6.4 |
Completeness [%] | 99.4 | |
Redundancy | 8.1 | 6.5 |
CC(1/2) | 0.999 | 0.958 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 13% PEG3350, 0.2M sodium nitrate, 5% ethylene glycol |