4MBJ
Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 106.970, 106.970, 152.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.600 |
R-factor | 0.276 |
Rwork | 0.276 |
R-free | 0.32800 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.790 |
High resolution limit [Å] | 3.600 | 3.600 |
Rmerge | 0.366 | |
Number of reflections | 10739 | |
<I/σ(I)> | 8.2 | 2.1 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG8000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |