4XV9
B-Raf Kinase domain in complex with PLX5568
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 119.297, 119.297, 52.507 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.630 - 2.000 |
R-factor | 0.206 |
Rwork | 0.205 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.144 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.25) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 119.523 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 26185 | |
<I/σ(I)> | 6.9 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1M MES AT PH6.0, 35% (V/V) 2-METHYL- 2,4-PENTANEDIOL 0.2M LI2SO4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K |