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 |
