3TV6
Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 108.440, 108.440, 150.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.750 - 3.300 |
R-factor | 0.23967 |
Rwork | 0.237 |
R-free | 0.28787 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.312 |
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 | 3.480 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.090 | 0.326 |
Number of reflections | 13851 | |
<I/σ(I)> | 2.3 | |
Completeness [%] | 98.5 | 99.4 |
Redundancy | 4.6 | 4.7 |
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 |