8C7X
Crystal structure of BRAF 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 | 49.129, 97.560, 114.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.370 - 1.650 |
R-factor | 0.15434 |
Rwork | 0.153 |
R-free | 0.17119 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.569 |
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] | 57.450 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.066 | 0.166 |
Rmeas | 0.070 | 0.179 |
Rpim | 0.024 | 0.066 |
Number of reflections | 66629 | 9169 |
<I/σ(I)> | 21.2 | 9.4 |
Completeness [%] | 99.1 | |
Redundancy | 8.4 | 6.8 |
CC(1/2) | 0.998 | 0.982 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 19% PEG3350, 0.1M bis-tris-propane pH 7.0, 0.2M sodium bromide, 10% ethylene glycol |