6FFD
Human BRD4 C-terminal bromodomain with 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97296 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 33.310, 57.150, 73.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.590 - 1.830 |
R-factor | 0.18761 |
Rwork | 0.185 |
R-free | 0.25298 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.105 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.590 | 1.930 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.084 | 0.510 |
Number of reflections | 12692 | |
<I/σ(I)> | 8.9 | 2.3 |
Completeness [%] | 98.3 | 98.6 |
Redundancy | 4.4 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M morpheus buffer1, pH 6.5, 30% morpheus EDO_P8K, 0.12M Morpheus alchol mixture |