6B8U
Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.11589 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 93.502, 93.502, 164.703 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.750 - 2.680 |
| R-factor | 0.1804 |
| Rwork | 0.178 |
| R-free | 0.21840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fb8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | PROCESS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.800 | 2.780 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.152 | 0.768 |
| Rpim | 0.074 | 0.369 |
| Number of reflections | 21143 | 2056 |
| <I/σ(I)> | 11.4 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 277 | 10% PEG8000, 0.1 M sodium citrate pH 4.7, and 0.2 M sodium chloride |
