6N0Q
BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
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] | 100 |
Detector technology | CCD |
Collection date | 2010-12-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 94.320, 94.320, 162.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.530 - 2.040 |
R-factor | 0.182 |
Rwork | 0.181 |
R-free | 0.21300 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | Adxv |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.530 | 51.530 | 2.150 |
High resolution limit [Å] | 2.040 | 6.450 | 2.040 |
Rmerge | 0.107 | 0.027 | 0.996 |
Rmeas | 0.113 | 0.029 | 1.042 |
Rpim | 0.033 | 0.009 | 0.304 |
Total number of observations | 528042 | ||
Number of reflections | 46389 | 1714 | 6847 |
<I/σ(I)> | 16.7 | ||
Completeness [%] | 97.4 | 99.9 | 100 |
Redundancy | 11.4 | 10.5 | 11.7 |
CC(1/2) | 0.999 | 1.000 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100 mM Tris pH 8.3, 15% PEG8000, and 25% glycerol |