4UIZ
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-17 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.373, 44.555, 78.698 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.770 - 1.190 |
| R-factor | 0.16713 |
| Rwork | 0.167 |
| R-free | 0.17478 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.557 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.770 | 1.250 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.040 | 0.160 |
| Number of reflections | 41778 | |
| <I/σ(I)> | 28.3 | 8.1 |
| Completeness [%] | 1.2 | 81.4 |
| Redundancy | 5.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1M BTP PH 6.5, 20% PEG3350, 0.2M NAFORMATE |
