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 |