4G9C
Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine 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 | 107.050, 107.050, 161.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.760 - 3.500 |
| R-factor | 0.262 |
| Rwork | 0.260 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.900 |
| 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 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.111 | 0.369 |
| Number of reflections | 11862 | |
| <I/σ(I)> | 6.2 | 2 |
| Completeness [%] | 96.5 | 97.4 |
| Redundancy | 3.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 100 mM Tris pH 9.0, PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
