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 |
