7K0V
Crystal structure of bRaf in complex with inhibitor GNE-0749
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 | 2016-07-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.254, 115.354, 119.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.270 - 1.930 |
R-factor | 0.1867 |
Rwork | 0.184 |
R-free | 0.23040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c4c |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874_final) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.270 | 48.120 | 2.500 |
High resolution limit [Å] | 1.930 | 7.490 | 2.370 |
Rmerge | 0.110 | 0.029 | 0.825 |
Rmeas | 0.120 | 0.031 | 0.898 |
Rpim | 0.046 | 0.013 | 0.351 |
Total number of observations | 10456 | 46547 | |
Number of reflections | 60440 | 1734 | 7172 |
<I/σ(I)> | 13.3 | 39.6 | 2.4 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 6.6 | 6 | 6.5 |
CC(1/2) | 0.998 | 0.999 | 0.767 |
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 |