3TV6
Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide 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 |
| Collection date | 2008-07-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 108.440, 108.440, 150.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.750 - 3.300 |
| R-factor | 0.23967 |
| Rwork | 0.237 |
| R-free | 0.28787 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.312 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.480 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.090 | 0.326 |
| Number of reflections | 13851 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 98.5 | 99.4 |
| Redundancy | 4.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG 8000, Tris pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
