9FBY
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with (5-(4-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-27 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.589, 49.042, 58.138 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.744 - 1.853 |
Rwork | 0.184 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.241 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.590 | 2.030 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.062 | 0.287 |
Number of reflections | 9882 | 2285 |
<I/σ(I)> | 10.9 | 2.8 |
Completeness [%] | 98.5 | 97.8 |
Redundancy | 2.6 | 2.6 |
CC(1/2) | 0.969 | 0.649 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MMT(Malic acid, MES, Tris) pH9.0,25% w/v PEG1500 |