3TV4
Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide 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 | 2007-08-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 107.966, 107.966, 153.142 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.400 |
| R-factor | 0.24379 |
| Rwork | 0.241 |
| R-free | 0.30746 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.347 |
| 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 | 3.580 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.118 | 0.367 |
| Number of reflections | 12929 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 3.1 | 3.1 |
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 |
