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 |