3C4C
B-Raf Kinase in Complex with PLX4720
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] | 295 |
| Detector technology | CCD |
| Collection date | 2006-04-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.574, 105.502, 110.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.570 |
| R-factor | 0.26078 |
| Rwork | 0.259 |
| R-free | 0.30334 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.059 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.1.25) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Number of reflections | 19778 | |
| <I/σ(I)> | 4.9 | 1.3 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 100mM BisTris at pH 6.0, 12.5% 2,5-hexanediol, and 12% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
