4XV2
B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.689, 105.666, 109.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.870 - 2.500 |
R-factor | 0.213 |
Rwork | 0.212 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.737 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.114 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 22321 | |
<I/σ(I)> | 8.1 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1M BISTRIS AT PH 6.0, 12.5% 2,5- HEXABEDIOL, 12% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K |