7P6V
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.611, 52.134, 57.186 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.557 - 1.170 |
Rwork | 0.218 |
R-free | 0.24130 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.003 |
RMSD bond angle | 1.131 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.590 | 1.200 |
High resolution limit [Å] | 1.170 | 1.170 |
Rmerge | 0.078 | 0.766 |
Number of reflections | 41918 | 2743 |
<I/σ(I)> | 10.3 | |
Completeness [%] | 96.2 | 87.1 |
Redundancy | 5.7 | 4.1 |
CC(1/2) | 0.989 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 25% w/v PEG1500, 0.1 SPG pH 5.0 |