3Q4C
Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Detector technology | CCD |
Collection date | 2007-11-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03317 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 94.905, 94.905, 163.349 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.200 |
Rwork | 0.232 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 3.200 |
Number of reflections | 14201 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 298 | 25mM magnesium acetate tetrahydrate, 100mM sodium cacodylate trihydrate, 20% PEG8K, pH 6.5, microbatch, temperature 298K |