4G9R
B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline 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 | 2009-12-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 96.820, 96.820, 168.718 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.240 - 3.200 |
R-factor | 0.22903 |
Rwork | 0.226 |
R-free | 0.27670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.005 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.370 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.146 | 0.368 |
Number of reflections | 13727 | |
<I/σ(I)> | 5 | 2 |
Completeness [%] | 99.1 | 99.6 |
Redundancy | 3.8 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris, 16% PEG 8000, 100 mM NDSB-256, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |