3OG7
B-Raf Kinase V600E oncogenic mutant in complex with PLX4032
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 | 2008-03-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.770, 104.424, 110.128 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.300 - 2.450 |
R-factor | 0.2143 |
Rwork | 0.212 |
R-free | 0.25750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.649 |
Data reduction software | MOSFLM (3.3.15) |
Data scaling software | SCALA (3.3.15) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 110.128 | 104.424 | 2.580 |
High resolution limit [Å] | 2.450 | 7.750 | 2.450 |
Rmerge | 0.024 | 0.524 | |
Total number of observations | 3356 | 14515 | |
Number of reflections | 22230 | ||
<I/σ(I)> | 11.2 | 20.1 | 1.4 |
Completeness [%] | 99.8 | 98.2 | 99.9 |
Redundancy | 4.5 | 4.3 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 100MM BISTRIS AT PH 6.0, 12.5% 2,5-HEXANEDIOL, AND 12% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K |