3PRI
Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine 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 | 2007-02-09 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 100.360, 100.360, 163.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 3.500 |
| R-factor | 0.245 |
| Rwork | 0.241 |
| R-free | 0.30300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.351 | |
| Number of reflections | 9194 | |
| <I/σ(I)> | 1.9 | |
| Completeness [%] | 93.0 | 98.2 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris, 10% PEG 4000, 0.2 M NDSB-256, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
