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 |