3SKC
Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-08-06 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 107.900, 107.900, 151.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.300 - 3.200 |
| R-factor | 0.235 |
| Rwork | 0.233 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| 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 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.860 | 0.331 |
| Number of reflections | 15245 | |
| <I/σ(I)> | 8.3 | 2.3 |
| Completeness [%] | 99.4 | 99.2 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG 10000, 100 mM Tris pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
