6XLO
Crystal structure of bRaf in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2016-04-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.059, 104.779, 60.258 |
| Unit cell angles | 90.00, 109.69, 90.00 |
Refinement procedure
| Resolution | 56.730 - 2.493 |
| R-factor | 0.2366 |
| Rwork | 0.235 |
| R-free | 0.26730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c4c |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.860 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7 (20-MAY-2020)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.730 | 49.890 | 2.630 |
| High resolution limit [Å] | 2.490 | 7.880 | 2.490 |
| Rmerge | 0.162 | 0.084 | 0.550 |
| Rmeas | 0.193 | 0.100 | 0.660 |
| Rpim | 0.104 | 0.055 | 0.360 |
| Total number of observations | 2069 | 8755 | |
| Number of reflections | 19111 | 628 | 2704 |
| <I/σ(I)> | 6.1 | 11.5 | 2.3 |
| Completeness [%] | 97.4 | 97 | 94.8 |
| Redundancy | 3.4 | 3.3 | 3.2 |
| CC(1/2) | 0.978 | 0.987 | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 18% PEG 3350, and 0.2M Na Nitrate, and 0.1 M bis-Tris propane pH 6.5 |
