4H58
BRAF in complex with compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-03 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9999 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 204.740, 204.740, 152.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.250 - 3.100 |
R-factor | 0.22413 |
Rwork | 0.222 |
R-free | 0.27158 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uwh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.266 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.250 | 3.170 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.140 | 0.795 |
Number of reflections | 28238 | |
Completeness [%] | 95.1 | 85.9 |
Redundancy | 3.8 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | salt, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |